Chemie search results(化合物の検索結果)

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    化合物検索へ
    N N H 3 C F N N O HO N O N O CH 3 O S CH 3 Cl O
    OK5
    表記:(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
    組成式:C47 H44 Cl F N6 O6 S
    SMILES:COc1ccccc1c2nccc(COc3ccccc3C[CH](Oc4ncnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8)c(Cl)c7C)c45)C(O)=O)n2
    InChi:InChI=1S/C47H44ClFN6O6S/c1-29-34(16-17-38(42(29)48)59-25-24-55-22-20-54(2)21-23-55)40-41-45(51-28-52-46(41)62-43(40)30-12-14-32(49)15-13-30)61-39(47(56)57)26-31-8-4-6-10-36(31)60-27-33-18-19-50-44(53-33)35-9-5-7-11-37(35)58-3/h4-19,28,39H,20-27H2,1-3H3,(H,56,57)/t39-/m1/s1
    定義日:2020-03-17
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
    OH O OH HO OH O O HO HO OH
    PUQ
    表記:pelargonidin 3-O-beta-D-glucoside
    組成式:C21 H22 O10
    SMILES:OC[CH]1O[CH](OC2=Cc3c(O)cc(O)cc3O[CH]2c4ccc(O)cc4)[CH](O)[CH](O)[CH]1O
    InChi:InChI=1S/C21H22O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-28H,8H2/t16-,17-,18+,19-,20?,21+/m0/s1
    別名:(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol
    定義日:2020-04-28
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol
    HN CH 3 H 3 C F F N N N H O O OH O O O O S S H 3 C CH 3
    QJY
    表記:(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
    組成式:C32 H42 F2 N4 O7 S2
    SMILES:C5C(OC(=O)NC(C(CN(CC(C)C)S(c1ccc2c(c1)sc(NC(C)C)n2)(=O)=O)O)Cc3cc(F)cc(c3)F)C4C(OCC4)OC5
    InChi:InChI=1S/C32H42F2N4O7S2/c1-18(2)16-38(47(41,42)23-5-6-25-29(15-23)46-31(36-25)35-19(3)4)17-27(39)26(13-20-11-21(33)14-22(34)12-20)37-32(40)45-28-8-10-44-30-24(28)7-9-43-30/h5-6,11-12,14-15,18-19,24,26-28,30,39H,7-10,13,16-17H2,1-4H3,(H,35,36)(H,37,40)/t24-,26-,27+,28-,30+/m0/s1
    定義日:2019-11-06
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
    NH CH 3 H 3 C F N N H O O HO O O O O S S H 3 C N CH 3
    QK1
    表記:(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
    組成式:C32 H43 F N4 O7 S2
    SMILES:CC(C)CN(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccc(cc3)F)S(c4cc5c(cc4)nc(s5)NC(C)C)(=O)=O
    InChi:InChI=1S/C32H43FN4O7S2/c1-19(2)17-37(46(40,41)23-9-10-25-29(16-23)45-31(35-25)34-20(3)4)18-27(38)26(15-21-5-7-22(33)8-6-21)36-32(39)44-28-12-14-43-30-24(28)11-13-42-30/h5-10,16,19-20,24,26-28,30,38H,11-15,17-18H2,1-4H3,(H,34,35)(H,36,39)/t24-,26-,27+,28-,30+/m0/s1
    定義日:2019-11-06
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate
    H 3 C O O N N HN N N
    QKQ
    表記:~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
    組成式:C22 H21 N5 O2
    SMILES:COc1ccc(cc1)c2cncc3ccc(nc23)C(=O)NCCCn4ccnc4
    InChi:InChI=1S/C22H21N5O2/c1-29-18-6-3-16(4-7-18)19-14-24-13-17-5-8-20(26-21(17)19)22(28)25-9-2-11-27-12-10-23-15-27/h3-8,10,12-15H,2,9,11H2,1H3,(H,25,28)
    定義日:2020-06-22
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
    CH 3 Sn H 3 C H 3 C Br
    QLT
    表記:Triethyltin bromide
    組成式:C6 H15 Br Sn
    SMILES:CC[Sn](Br)(CC)CC
    InChi:InChI=1S/3C2H5.BrH.Sn/c3*1-2
    別名:bromanyl(triethyl)stannane
    定義日:2020-06-29
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):bromanyl(triethyl)stannane
    HO O O CH 3
    QMA
    表記:2-hydroxy-6-methoxynaphthalene-1-carbaldehyde
    組成式:C12 H10 O3
    SMILES:c1cc(O)c(C=O)c2ccc(cc12)OC
    InChi:InChI=1S/C12H10O3/c1-15-9-3-4-10-8(6-9)2-5-12(14)11(10)7-13/h2-7,14H,1H3
    定義日:2019-11-19
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):2-hydroxy-6-methoxynaphthalene-1-carbaldehyde
    CH 3
    QTE
    表記:methylcyclohexane
    組成式:C7 H14
    SMILES:CC1CCCCC1
    InChi:InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
    定義日:2020-08-06
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):methylcyclohexane
    HN O N H N H OH N H O N H N H OH
    R6W
    表記:(3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one
    組成式:C40 H40 N6 O4
    SMILES:Oc1ccc2C(=O)N[CH](c2c1)c3c(CNCCCCCCNCc4[nH]c5ccccc5c4[CH]6NC(=O)c7ccc(O)cc67)[nH]c8ccccc38
    InChi:InChI=1S/C40H40N6O4/c47-23-13-15-25-29(19-23)37(45-39(25)49)35-27-9-3-5-11-31(27)43-33(35)21-41-17-7-1-2-8-18-42-22-34-36(28-10-4-6-12-32(28)44-34)38-30-20-24(48)14-16-26(30)40(50)46-38/h3-6,9-16,19-20,37-38,41-44,47-48H,1-2,7-8,17-18,21-22H2,(H,45,49)(H,46,50)/t37-,38-/m0/s1
    定義日:2020-09-10
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one
    O N N N S OH HO O HO OH O O N H H 3 C H 3 C
    R7H
    表記:(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
    組成式:C18 H30 N4 O8 S
    SMILES:CCOCCn1cc(CSC[CH](O)[CH](O)[CH]2O[CH](C[CH](O)[CH]2NC(C)=O)C(O)=O)nn1
    InChi:InChI=1S/C18H30N4O8S/c1-3-29-5-4-22-7-11(20-21-22)8-31-9-13(25)16(26)17-15(19-10(2)23)12(24)6-14(30-17)18(27)28/h7,12-17,24-26H,3-6,8-9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,14-,15+,16+,17+/m0/s1
    定義日:2020-09-15
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
    CH 3 O O
    S1N
    表記:(~{E})-4-methylnon-4-enedial
    組成式:C10 H16 O2
    SMILES:CC(CCC=O)=CCCCC=O
    InChi:InChI=1S/C10H16O2/c1-10(7-5-9-12)6-3-2-4-8-11/h6,8-9H,2-5,7H2,1H3/b10-6+
    定義日:2020-11-05
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(~{E})-4-methylnon-4-enedial
    N N N H H 3 C HO N N NH
    S1Z
    表記:(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
    組成式:C17 H18 N6 O
    SMILES:CC[CH](CO)Nc1ccc2ncc(n2n1)c3ccc4n[nH]cc4c3
    InChi:InChI=1S/C17H18N6O/c1-2-13(10-24)20-16-5-6-17-18-9-15(23(17)22-16)11-3-4-14-12(7-11)8-19-21-14/h3-9,13,24H,2,10H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1
    定義日:2020-11-06
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
    NH 2 O N H O N H O H 2 N
    TIU
    表記:tricarbonodiimidic diamide
    組成式:C3 H6 N4 O3
    SMILES:NC(NC(=O)NC(N)=O)=O
    InChi:InChI=1S/C3H6N4O3/c4-1(8)6-3(10)7-2(5)9/h(H6,4,5,6,7,8,9,10)
    定義日:2020-06-24
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):tricarbonodiimidic diamide
    F H 3 C H 3 C H 3 C CH 3 F O O O O O O O O O O O O N NH H 2 N H 2 N N N N N H NH CH 3
    TKY
    表記:14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
    組成式:C62 H79 F2 N9 O12
    SMILES:C(OCCOCCOCCOCCOCCOc4cc1c(CC(N(C(=O)C(NC(C(C)NC)=O)C(C)(C)C)C1)C(=O)NC3c2c(cccc2)CCC3)cc4)(N8CCCC(n7c(c(C(N)=O)c(c6ccc(Oc5ccc(F)cc5F)cc6)n7)N)C8)=O
    InChi:InChI=1S/C62H79F2N9O12/c1-39(67-5)58(75)69-55(62(2,3)4)60(77)72-37-43-34-47(21-17-42(43)35-51(72)59(76)68-50-14-8-11-40-10-6-7-13-48(40)50)83-32-30-81-28-26-79-24-25-80-27-29-82-31-33-84-61(78)71-23-9-12-45(38-71)73-56(65)53(57(66)74)54(70-73)41-15-19-46(20-16-41)85-52-22-18-44(63)36-49(52)64/h6-7,10,13,15-22,34,36,39,45,50-51,55,67H,8-9,11-12,14,23-33,35,37-38,65H2,1-5H3,(H2,66,74)(H,68,76)(H,69,75)/t39-,45+,50+,51-,55+/m0/s1
    定義日:2020-03-24
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):14-{[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-3,6,9,12-tetraoxatetradecan-1-yl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
    F CH 3 H 3 C CH 3 CH 3 F NH 2 O O O O O O O O N H H 2 N N H N N N N N HN N H 3 C
    TL7
    表記:[5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
    組成式:C58 H65 F2 N11 O8
    SMILES:c1cccc2C(CCCc12)NC(C3Cc4c(CN3C(C(C(C)(C)C)NC(C(C)NC)=O)=O)cc(cc4)OCc9cnc(COC(N5CCCC(C5)n6c(c(c(n6)c7ccc(cc7)Oc8ccc(F)cc8F)C(N)=O)N)=O)cn9)=O
    InChi:InChI=1S/C58H65F2N11O8/c1-33(63-5)54(73)67-51(58(2,3)4)56(75)70-29-37-24-43(21-17-36(37)25-47(70)55(74)66-46-14-8-11-34-10-6-7-13-44(34)46)77-31-39-27-65-40(28-64-39)32-78-57(76)69-23-9-12-41(30-69)71-52(61)49(53(62)72)50(68-71)35-15-19-42(20-16-35)79-48-22-18-38(59)26-45(48)60/h6-7,10,13,15-22,24,26-28,33,41,46-47,51,63H,8-9,11-12,14,23,25,29-32,61H2,1-5H3,(H2,62,72)(H,66,74)(H,67,73)/t33-,41+,46+,47-,51+/m0/s1
    定義日:2020-03-25
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):[5-({[(3S)-2-(N-methyl-L-alanyl-3-methyl-L-valyl)-3-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)pyrazin-2-yl]methyl (3R)-3-{5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}piperidine-1-carboxylate
    Br O O NH 2 N N N F CH 3 O HN H 3 C
    ULJ
    表記:5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
    組成式:C18 H17 Br F N5 O3
    SMILES:COc3ccc(OC)c(NC(=O)c2c(N)n(Cc1c(F)cc(cc1)Br)nn2)c3
    InChi:InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-15(28-2)14(8-12)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)
    定義日:2020-05-21
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
    H 3 C F CH 3 CH 3 F H 3 C N N N H N N N N N N N O O O O O H 3 C H 3 C CH 3
    V6G
    表記:3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one
    組成式:C48 H48 F2 N10 O5
    SMILES:c23cc(C1CCOC(C)(C)C1)ccc2n(c(c3)C(N9CCc8c(c(N4C(N(C=C4)c5c(c6c(cc5)n(C)nc6)F)=O)n(c7cc(C)c(c(c7)C)F)n8)C9C)=O)C%11(C=%10NC(=O)ON=%10)CC%11C
    InChi:InChI=1S/C48H48F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62)/t27-,28-,30-,48-/m0/s1
    定義日:2020-07-08
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one
    CH 3 CH 3 F
    V7M
    表記:1-fluoro-3,5-dimethylbenzene
    組成式:C8 H9 F
    SMILES:Cc1cc(cc(c1)C)F
    InChi:InChI=1S/C8H9F/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
    定義日:2020-07-13
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):1-fluoro-3,5-dimethylbenzene
    NH 2 O F N
    V7P
    表記:(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal
    組成式:C12 H11 F N2 O
    SMILES:c2(F)ccc1c(c(ccn1)CC(C=O)N)c2
    InChi:InChI=1S/C12H11FN2O/c13-9-1-2-12-11(6-9)8(3-4-15-12)5-10(14)7-16/h1-4,6-7,10H,5,14H2/t10-/m0/s1
    定義日:2020-07-13
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal
    H 3 C S S CH 3
    V7S
    表記:1,3-bis[(methylsulfanyl)methyl]benzene
    組成式:C10 H14 S2
    SMILES:CSCc1cccc(c1)CSC
    InChi:InChI=1S/C10H14S2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h3-6H,7-8H2,1-2H3
    定義日:2020-07-13
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):1,3-bis[(methylsulfanyl)methyl]benzene
    OH N H CH 3
    VB3
    表記:2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
    組成式:C16 H25 N O
    SMILES:CC(NCc1ccccc1O)CC2CCCCC2
    InChi:InChI=1S/C16H25NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3/t13-/m0/s1
    定義日:2019-05-17
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
    O _ O O O NH F F F CH 3 CH 3 H 3 C + N
    VFY
    表記:methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
    組成式:C16 H16 F3 N2 O4
    SMILES:COC(=O)C1=C(C)NC(=C([CH]1c2ccccc2C(F)(F)F)[N+]([OH-])=O)C
    InChi:InChI=1S/C16H16F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20,23H,1-3H3/t13-/m1/s1
    定義日:2020-08-10
    最終更新日:2020-11-13
    公開日:2020-11-18
    CH 3 N H O O CH 3 NH H 2 C HN
    Y94
    表記:2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
    組成式:C24 H25 N3 O2
    SMILES:O=C(Nc1ccc(C)c(c1)C(NC(C)c2cccc3c2cccc3)=O)NC\C=C
    InChi:InChI=1S/C24H25N3O2/c1-4-14-25-24(29)27-19-13-12-16(2)22(15-19)23(28)26-17(3)20-11-7-9-18-8-5-6-10-21(18)20/h4-13,15,17H,1,14H2,2-3H3,(H,26,28)(H2,25,27,29)/t17-/m1/s1
    定義日:2020-11-10
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide
    HN CH 3 O OH N CH 3
    Y96
    表記:5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
    組成式:C21 H20 N2 O2
    SMILES:O=C(c1c(ccc(\C=N\O)c1)C)NC(C)c2cccc3c2cccc3
    InChi:InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1
    定義日:2020-11-10
    最終更新日:2020-11-13
    公開日:2020-11-18
    識別子(ID):5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
    Fe Fe Fe Fe S + S _ S O O O
    FSO
    表記:IRON/SULFUR/OXYGEN HYBRID CLUSTER
    組成式:Fe4 O3 S3
    SMILES:S|[Fe]|1|234O[Fe]O[Fe]|5|1S[Fe]|2(O3)S4|5
    InChi:InChI=1/4Fe.3O.H2S.2S/h
    定義日:2000-05-04
    最終更新日:2020-11-09
    公開日:2000-06-21
    171588
    件を2020-11-25に公開中