 | | A0O | | 表記: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one | | 組成式: | C15 H16 O3 | | SMILES: | COc1ccc2C=CC(=O)Oc2c1CC=C(C)C | | InChi: | InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 | | 定義日: | 2018-09-12 | | 最終更新日: | 2020-02-07 | | 公開日: | 2020-02-12 | | 識別子（ID）: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
|
 | | CKL | | 表記: | 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide | | 組成式: | C19 H21 N9 O5 S | | SMILES: | COc1ncnc(N[S](=O)(=O)c2ccc(NCC3=NC4=C(NC3)N=C(N)NC4=O)cc2)c1OC | | InChi: | InChI=1S/C19H21N9O5S/c1-32-14-16(23-9-24-18(14)33-2)28-34(30,31)12-5-3-10(4-6-12)21-7-11-8-22-15-13(25-11)17(29)27-19(20)26-15/h3-6,9,21H,7-8H2,1-2H3,(H,23,24,28)(H4,20,22,26,27,29) | | 定義日: | 2019-04-25 | | 最終更新日: | 2020-02-07 | | 公開日: | 2020-02-12 | | 識別子（ID）: | 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-3~{H}-pteridin-6-yl)methylamino]-~{N}-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide |
|
 | | BV9 | | 表記: | 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide | | 組成式: | C16 H14 N4 O | | SMILES: | Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O | | InChi: | InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21) | | 定義日: | 2019-03-13 | | 最終更新日: | 2020-02-07 | | 公開日: | 2020-02-12 | | 識別子（ID）: | 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide |
|
 | | EB6 | | 表記: | methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate | | 組成式: | C33 H27 N O7 | | SMILES: | COC(=O)[CH](Cc1ccc(OC(=O)C#Cc2ccc(OC)cc2O)cc1)Nc3ccccc3C(=O)c4ccccc4 | | InChi: | InChI=1S/C33H27NO7/c1-39-26-18-14-23(30(35)21-26)15-19-31(36)41-25-16-12-22(13-17-25)20-29(33(38)40-2)34-28-11-7-6-10-27(28)32(37)24-8-4-3-5-9-24/h3-14,16-18,21,29,34-35H,20H2,1-2H3/t29-/m0/s1 | | 定義日: | 2019-12-06 | | 最終更新日: | 2020-02-07 | | 公開日: | 2020-02-12 | | 識別子（ID）: | methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate |
|
 | | EBF | | 表記: | 7-methoxychromen-2-one | | 組成式: | C10 H8 O3 | | SMILES: | COc1ccc2C=CC(=O)Oc2c1 | | InChi: | InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 | | 定義日: | 2019-12-06 | | 最終更新日: | 2020-02-07 | | 公開日: | 2020-02-12 | | 識別子（ID）: | 7-methoxychromen-2-one |
|
 | | EJL | | 表記: | (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid | | 組成式: | C24 H32 O3 | | SMILES: | CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O | | InChi: | InChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15- | | 定義日: | 2020-01-08 | | 最終更新日: | 2020-02-07 | | 公開日: | 2020-02-12 | | 識別子（ID）: | (9~{Z},12~{Z},15~{Z},18~{Z},21~{Z})-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid |
|
 | | EJO | | 表記: | 7-(diethylamino)chromen-2-one | | 組成式: | C13 H15 N O2 | | SMILES: | CCN(CC)c1ccc2C=CC(=O)Oc2c1 | | InChi: | InChI=1S/C13H15NO2/c1-3-14(4-2)11-7-5-10-6-8-13(15)16-12(10)9-11/h5-9H,3-4H2,1-2H3 | | 定義日: | 2020-01-08 | | 最終更新日: | 2020-02-07 | | 公開日: | 2020-02-12 | | 識別子（ID）: | 7-(diethylamino)chromen-2-one |
|
 | | L1S | | 表記: | methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate | | 組成式: | C25 H23 N7 O4 | | SMILES: | O=C(c5c4nc(c3ccc(C(N2CCN(c1ncc(cn1)C(OC)=O)CC2)=O)cc3)nc4ccc5)N | | InChi: | InChI=1S/C25H23N7O4/c1-36-24(35)17-13-27-25(28-14-17)32-11-9-31(10-12-32)23(34)16-7-5-15(6-8-16)22-29-19-4-2-3-18(21(26)33)20(19)30-22/h2-8,13-14H,9-12H2,1H3,(H2,26,33)(H,29,30) | | 定義日: | 2019-01-31 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate |
|
 | | L1V | | 表記: | 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid | | 組成式: | C15 H16 O5 | | SMILES: | C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O | | InChi: | InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1 | | 定義日: | 2019-01-31 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid |
|
 | | L1Y | | 表記: | 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid | | 組成式: | C15 H16 O5 | | SMILES: | C1(C(CCC1)CC(=O)O)C(c2ccc(cc2)C(O)=O)=O | | InChi: | InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m1/s1 | | 定義日: | 2019-01-31 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid |
|
 | | QWM | | 表記: | N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine | | 組成式: | C19 H23 F3 N6 | | SMILES: | c4(c2nc(NC(C)C1CC1)nc(n2)NC(C3CC3)C)nc(C(F)(F)F)ccc4 | | InChi: | InChI=1S/C19H23F3N6/c1-10(12-6-7-12)23-17-26-16(14-4-3-5-15(25-14)19(20,21)22)27-18(28-17)24-11(2)13-8-9-13/h3-5,10-13H,6-9H2,1-2H3,(H2,23,24,26,27,28)/t10-,11-/m1/s1 | | 定義日: | 2020-01-08 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine |
|
 | | NMJ | | 表記: | 6-chloropyrazine-2-carboxylic acid | | 組成式: | C5 H3 Cl N2 O2 | | SMILES: | c1c(C(O)=O)nc(cn1)Cl | | InChi: | InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10) | | 定義日: | 2019-05-20 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | 6-chloropyrazine-2-carboxylic acid |
|
 | | LD8 | | 表記: | 2,4-dimethoxypyrimidine | | 組成式: | C6 H8 N2 O2 | | SMILES: | COc1ccnc(OC)n1 | | InChi: | InChI=1S/C6H8N2O2/c1-9-5-3-4-7-6(8-5)10-2/h3-4H,1-2H3 | | 定義日: | 2019-08-05 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | 2,4-dimethoxypyrimidine |
|
 | | QAG | | 表記: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile | | 組成式: | C24 H16 F N5 O S | | SMILES: | N#CC=[C@H]c4cc(C)c(Oc2c1sccc1nc(n2)Nc3cc(F)c(C#N)cc3)c(c4)C | | InChi: | InChI=1S/C24H16FN5OS/c1-14-10-16(4-3-8-26)11-15(2)21(14)31-23-22-20(7-9-32-22)29-24(30-23)28-18-6-5-17(13-27)19(25)12-18/h3-7,9-12H,1-2H3,(H,28,29,30)/b4-3+ | | 定義日: | 2019-10-09 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile |
|
 | | R3V | | 表記: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol | | 組成式: | C29 H33 N O2 | | SMILES: | C1C(C)CCN1CCOc2ccc(cc2)C4c3ccc(O)cc3CCC4c5ccccc5 | | InChi: | InChI=1S/C29H33NO2/c1-21-15-16-30(20-21)17-18-32-26-11-7-23(8-12-26)29-27(22-5-3-2-4-6-22)13-9-24-19-25(31)10-14-28(24)29/h2-8,10-12,14,19,21,27,29,31H,9,13,15-18,20H2,1H3/t21-,27+,29-/m0/s1 | | 定義日: | 2020-01-29 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol |
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 | | KLQ | | 表記: | Bictegravir | | 組成式: | C21 H18 F3 N3 O5 | | SMILES: | OC1=C2N(C[CH]3O[CH]4CC[CH](C4)N3C2=O)C=C(C(=O)NCc5c(F)cc(F)cc5F)C1=O | | InChi: | InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1 | | 定義日: | 2019-06-06 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 |
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 | | H8R | | 表記: | (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid | | 組成式: | C20 H31 N O4 | | SMILES: | CCCCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(O)=O | | InChi: | InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-14-25-17-12-10-16(11-13-17)19(22)21-18(15(2)3)20(23)24/h10-13,15,18H,4-9,14H2,1-3H3,(H,21,22)(H,23,24)/t18-/m0/s1 | | 定義日: | 2019-01-23 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid |
|
 | | QDJ | | 表記: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C37 H39 N3 O3 S | | SMILES: | CC(C)(OC(=O)NC(CSC(Cc2c1c(cccc1)ccc2)C(NCc3cnccc3)=O)Cc5c4ccccc4ccc5)C | | InChi: | InChI=1S/C37H39N3O3S/c1-37(2,3)43-36(42)40-31(21-29-16-8-14-27-12-4-6-18-32(27)29)25-44-34(35(41)39-24-26-11-10-20-38-23-26)22-30-17-9-15-28-13-5-7-19-33(28)30/h4-20,23,31,34H,21-22,24-25H2,1-3H3,(H,39,41)(H,40,42)/t31-,34+/m1/s1 | | 定義日: | 2019-10-17 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
|
 | | QDP | | 表記: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C38 H39 N3 O3 S | | SMILES: | C(SCC(NC(=O)OC(C)(C)C)Cc2c1ccccc1ccc2)(C(=O)N=CCc3cnccc3)Cc4cccc5c4cccc5 | | InChi: | InChI=1S/C38H39N3O3S/c1-38(2,3)44-37(43)41-32(23-30-16-8-14-28-12-4-6-18-33(28)30)26-45-35(36(42)40-22-20-27-11-10-21-39-25-27)24-31-17-9-15-29-13-5-7-19-34(29)31/h4-19,21-22,25,32,35H,20,23-24,26H2,1-3H3,(H,41,43)/b40-22+/t32-,35-/m0/s1 | | 定義日: | 2019-10-17 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-3-(naphthalen-1-yl)-1-oxo-1-{(E)-[2-(pyridin-3-yl)ethylidene]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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 | | QDV | | 表記: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C32 H38 N4 O3 S | | SMILES: | C(C(NC(OC(C)(C)C)=O)Cc1cnc2ccccc12)SC(C(=O)NCCc3cccnc3)Cc4ccccc4 | | InChi: | InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m0/s1 | | 定義日: | 2019-10-17 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
|
 | | QDY | | 表記: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C34 H39 N3 O3 S | | SMILES: | C(C(NC(OC(C)(C)C)=O)Cc2c1ccccc1ccc2)SC(C(NCCc3cccnc3)=O)Cc4ccccc4 | | InChi: | InChI=1S/C34H39N3O3S/c1-34(2,3)40-33(39)37-29(22-28-16-9-15-27-14-7-8-17-30(27)28)24-41-31(21-25-11-5-4-6-12-25)32(38)36-20-18-26-13-10-19-35-23-26/h4-17,19,23,29,31H,18,20-22,24H2,1-3H3,(H,36,38)(H,37,39)/t29-,31+/m1/s1 | | 定義日: | 2019-10-17 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
|
 | | QE4 | | 表記: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C34 H39 N3 O3 S | | SMILES: | CC(OC(NC(CSC(Cc1ccccc1)C(=O)NCCc2cnccc2)Cc3cccc4c3cccc4)=O)(C)C | | InChi: | InChI=1S/C34H39N3O3S/c1-34(2,3)40-33(39)37-29(22-28-16-9-15-27-14-7-8-17-30(27)28)24-41-31(21-25-11-5-4-6-12-25)32(38)36-20-18-26-13-10-19-35-23-26/h4-17,19,23,29,31H,18,20-22,24H2,1-3H3,(H,36,38)(H,37,39)/t29-,31+/m0/s1 | | 定義日: | 2019-10-17 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
|
 | | QEA | | 表記: | tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C32 H38 N4 O3 S | | SMILES: | C(SC(C(=O)NCCc1cnccc1)Cc2ccccc2)C(Cc3cnc4c3cccc4)NC(=O)OC(C)(C)C | | InChi: | InChI=1S/C32H38N4O3S/c1-32(2,3)39-31(38)36-26(19-25-21-35-28-14-8-7-13-27(25)28)22-40-29(18-23-10-5-4-6-11-23)30(37)34-17-15-24-12-9-16-33-20-24/h4-14,16,20-21,26,29,35H,15,17-19,22H2,1-3H3,(H,34,37)(H,36,38)/t26-,29+/m1/s1 | | 定義日: | 2019-10-18 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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 | | QEP | | 表記: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C33 H38 N4 O3 S | | SMILES: | CC(OC(=O)NC(CSCC(Nc1ccccc1)C(=O)NCc2cnccc2)Cc3cccc4c3cccc4)(C)C | | InChi: | InChI=1S/C33H38N4O3S/c1-33(2,3)40-32(39)37-28(19-26-14-9-13-25-12-7-8-17-29(25)26)22-41-23-30(36-27-15-5-4-6-16-27)31(38)35-21-24-11-10-18-34-20-24/h4-18,20,28,30,36H,19,21-23H2,1-3H3,(H,35,38)(H,37,39)/t28-,30-/m0/s1 | | 定義日: | 2019-10-18 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate |
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 | | QES | | 表記: | tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | | 組成式: | C31 H37 N5 O3 S | | SMILES: | CC(OC(NC(CSCC(C(NCc1cnccc1)=O)Nc2ccccc2)Cc4c3c(cccc3)nc4)=O)(C)C | | InChi: | InChI=1S/C31H37N5O3S/c1-31(2,3)39-30(38)36-25(16-23-19-33-27-14-8-7-13-26(23)27)20-40-21-28(35-24-11-5-4-6-12-24)29(37)34-18-22-10-9-15-32-17-22/h4-15,17,19,25,28,33,35H,16,18,20-21H2,1-3H3,(H,34,37)(H,36,38)/t25-,28-/m1/s1 | | 定義日: | 2019-10-18 | | 最終更新日: | 2020-01-31 | | 公開日: | 2020-02-05 | | 識別子（ID）: | tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate |
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