 | | 1FY | | 表記: | (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide | | 組成式: | C17 H26 N4 O4 S2 | | SMILES: | O=C(Nc1nccs1)C(N2C(=O)CN(S(=O)(=O)C)CC2)CC3CCCCC3 | | InChi: | InChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23)/t14-/m0/s1 | | 定義日: | 2013-01-18 | | 最終更新日: | 2013-03-15 | | 公開日: | 2013-03-20 | | 識別子（ID）: | (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide |
|
 | | 4HV | | 表記: | N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide | | 組成式: | C23 H22 N2 O5 | | SMILES: | O=C(c1cc(oc1)c2cc(OC)c(OC)cc2)NC(Cc3cccc(C#N)c3)CO | | InChi: | InChI=1S/C23H22N2O5/c1-28-20-7-6-17(10-22(20)29-2)21-11-18(14-30-21)23(27)25-19(13-26)9-15-4-3-5-16(8-15)12-24/h3-8,10-11,14,19,26H,9,13H2,1-2H3,(H,25,27)/t19-/m1/s1 | | 定義日: | 2012-11-14 | | 最終更新日: | 2013-03-15 | | 公開日: | 2013-03-20 | | 識別子（ID）: | N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide |
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 | | WJ1 | | 表記: | (S)-2-chloro-3-phenylpropanoic acid | | 組成式: | C9 H9 Cl O2 | | SMILES: | OC(=O)[CH](Cl)Cc1ccccc1 | | InChi: | InChI=1S/C9H9ClO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1 | | 定義日: | 2012-03-02 | | 最終更新日: | 2013-03-08 | | 公開日: | 2013-03-13 | | 識別子（ID）: | (2S)-2-chloranyl-3-phenyl-propanoic acid |
|
 | | C60 | | 表記: | [[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE | | 組成式: | C39 H63 N5 O6 S | | SMILES: | CCCCNC(=O)[CH](C[CH](O)[CH](CC1CCCCC1)NC(=O)[CH](Cc2[nH]cnc2)NC(=O)[CH](Cc3ccccc3)C[S](=O)(=O)C(C)(C)C)C(C)C | | InChi: | InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2013-03-04 | | 識別子（ID）: | N-butyl-5-[[2-[[2-(tert-butylsulfonylmethyl)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanamide |
|
 | | 1B8 | | 表記: | 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine | | 組成式: | C21 H20 Br Cl N4 O2 S | | SMILES: | Brc1scc(c1CC(NC3=NC(C)(C)Cc2cc(Cl)ccc23)C(=O)O)c4cnnc4 | | InChi: | InChI=1S/C21H20BrClN4O2S/c1-21(2)7-11-5-13(23)3-4-14(11)19(27-21)26-17(20(28)29)6-15-16(10-30-18(15)22)12-8-24-25-9-12/h3-5,8-10,17H,6-7H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t17-/m0/s1 | | 定義日: | 2012-11-21 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine |
|
 | | 1B9 | | 表記: | 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine | | 組成式: | C18 H18 Br Cl N2 O2 S | | SMILES: | Brc1c(csc1)CC(NC3=NC(C)(C)Cc2cc(Cl)ccc23)C(=O)O | | InChi: | InChI=1S/C18H18BrClN2O2S/c1-18(2)7-10-5-12(20)3-4-13(10)16(22-18)21-15(17(23)24)6-11-8-25-9-14(11)19/h3-5,8-9,15H,6-7H2,1-2H3,(H,21,22)(H,23,24)/t15-/m0/s1 | | 定義日: | 2012-11-21 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine |
|
 | | 1BE | | 表記: | N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine | | 組成式: | C24 H27 Cl N4 O2 S | | SMILES: | O=C(O)C(NC2=NC(C)(C)Cc1cc(Cl)ccc12)Cc4c(scc4c3cnnc3)CCC | | InChi: | InChI=1S/C24H27ClN4O2S/c1-4-5-21-18(19(13-32-21)15-11-26-27-12-15)9-20(23(30)31)28-22-17-7-6-16(25)8-14(17)10-24(2,3)29-22/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,26,27)(H,28,29)(H,30,31)/t20-/m0/s1 | | 定義日: | 2012-11-21 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine |
|
 | | 1BF | | 表記: | N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine | | 組成式: | C21 H21 Cl N4 O2 S | | SMILES: | O=C(O)C(NC2=NC(C)(C)Cc1cc(Cl)ccc12)Cc4cscc4c3cnnc3 | | InChi: | InChI=1S/C21H21ClN4O2S/c1-21(2)7-12-5-15(22)3-4-16(12)19(26-21)25-18(20(27)28)6-13-10-29-11-17(13)14-8-23-24-9-14/h3-5,8-11,18H,6-7H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t18-/m0/s1 | | 定義日: | 2012-11-21 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine |
|
 | | 1CH | | 表記: | N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine | | 組成式: | C20 H22 N2 O2 | | SMILES: | O=C(O)C(NC1=NC(Cc2ccccc12)(C)C)Cc3ccccc3 | | InChi: | InChI=1S/C20H22N2O2/c1-20(2)13-15-10-6-7-11-16(15)18(22-20)21-17(19(23)24)12-14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3,(H,21,22)(H,23,24)/t17-/m0/s1 | | 定義日: | 2012-12-06 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | N-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-phenylalanine |
|
 | | 0LT | | 表記: | N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide | | 組成式: | C27 H38 N2 O4 | | SMILES: | O=C(N(C(C)C)CC1C(CNC1)Cc2ccccc2)c3ccc(OC)c(OCCCOC)c3 | | InChi: | InChI=1S/C27H38N2O4/c1-20(2)29(19-24-18-28-17-23(24)15-21-9-6-5-7-10-21)27(30)22-11-12-25(32-4)26(16-22)33-14-8-13-31-3/h5-7,9-12,16,20,23-24,28H,8,13-15,17-19H2,1-4H3/t23-,24+/m1/s1 | | 定義日: | 2012-08-16 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | N-{[(3S,4S)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide |
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 | | KI1 | | 表記: | 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one | | 組成式: | C15 H17 Cl F3 N O2 S | | SMILES: | O=C(N2CCC(O)(c1ccc(Cl)c(c1)C(F)(F)F)CC2)CCS | | InChi: | InChI=1S/C15H17ClF3NO2S/c16-12-2-1-10(9-11(12)15(17,18)19)14(22)4-6-20(7-5-14)13(21)3-8-23/h1-2,9,22-23H,3-8H2 | | 定義日: | 2013-01-08 | | 最終更新日: | 2013-03-01 | | 公開日: | 2013-03-06 | | 識別子（ID）: | 1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-sulfanylpropan-1-one |
|
 | | C58 | | 表記: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine | | 組成式: | C24 H25 N5 S | | SMILES: | n1ccc(cc1)c2nc(c3c(n2)sc4c3CCCC4)NCC(N)Cc5ccccc5 | | InChi: | InChI=1S/C24H25N5S/c25-18(14-16-6-2-1-3-7-16)15-27-23-21-19-8-4-5-9-20(19)30-24(21)29-22(28-23)17-10-12-26-13-11-17/h1-3,6-7,10-13,18H,4-5,8-9,14-15,25H2,(H,27,28,29)/t18-/m0/s1 | | 定義日: | 2012-12-20 | | 最終更新日: | 2013-02-22 | | 公開日: | 2013-02-22 | | 識別子（ID）: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine |
|
 | | 18W | | 表記: | 3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid | | 組成式: | C20 H22 N2 O9 | | SMILES: | O=C2C(=C(C(=Cc1c(c(c(n1)C)CC(=O)O)CCC(=O)O)N2)CC(=O)O)CCC(=O)O | | InChi: | InChI=1S/C20H22N2O9/c1-9-12(6-18(27)28)10(2-4-16(23)24)14(21-9)8-15-13(7-19(29)30)11(20(31)22-15)3-5-17(25)26/h8,21H,2-7H2,1H3,(H,22,31)(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b15-8- | | 定義日: | 2012-11-08 | | 最終更新日: | 2013-02-22 | | 公開日: | 2013-02-22 | | 識別子（ID）: | 3-[(5Z)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methylidene}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid |
|
 | | 1A1 | | 表記: | N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide | | 組成式: | C17 H13 N7 O S | | SMILES: | O=C(Nc1nc(c2nc(sc2n1)c3cccnc3)n4ccnc4)C5CC5 | | InChi: | InChI=1S/C17H13N7OS/c25-14(10-3-4-10)22-17-21-13(24-7-6-19-9-24)12-16(23-17)26-15(20-12)11-2-1-5-18-8-11/h1-2,5-10H,3-4H2,(H,21,22,23,25) | | 定義日: | 2012-11-14 | | 最終更新日: | 2013-02-08 | | 公開日: | 2013-02-08 | | 識別子（ID）: | N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide |
|
 | | 0LU | | 表記: | (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol | | 組成式: | C20 H23 N O S | | SMILES: | OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4 | | InChi: | InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m0/s1 | | 定義日: | 2012-08-16 | | 最終更新日: | 2013-02-08 | | 公開日: | 2013-02-08 | | 識別子（ID）: | (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol |
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 | | 0LW | | 表記: | (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol | | 組成式: | C20 H23 N O S | | SMILES: | OC(CN1CCCC1)CC3c4c(Sc2c3cccc2)cccc4 | | InChi: | InChI=1S/C20H23NOS/c22-15(14-21-11-5-6-12-21)13-18-16-7-1-3-9-19(16)23-20-10-4-2-8-17(18)20/h1-4,7-10,15,18,22H,5-6,11-14H2/t15-/m1/s1 | | 定義日: | 2012-08-16 | | 最終更新日: | 2013-02-08 | | 公開日: | 2013-02-08 | | 識別子（ID）: | (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol |
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 | | 0M2 | | 表記: | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol | | 組成式: | C19 H20 N2 O | | SMILES: | OC(C)CN4CC2=C(c3c(Nc1ccccc12)cccc3)C4 | | InChi: | InChI=1S/C19H20N2O/c1-13(22)10-21-11-16-14-6-2-4-8-18(14)20-19-9-5-3-7-15(19)17(16)12-21/h2-9,13,20,22H,10-12H2,1H3/t13-/m1/s1 | | 定義日: | 2012-08-16 | | 最終更新日: | 2013-02-08 | | 公開日: | 2013-02-08 | | 識別子（ID）: | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol |
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 | | 8SP | | 表記: | O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | 組成式: | C22 H42 N O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC | | InChi: | InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1 | | 定義日: | 2013-01-22 | | 最終更新日: | 2013-02-08 | | 公開日: | 2013-02-08 | | 識別子（ID）: | O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine |
|
 | | VZV | | 表記: | 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide | | 組成式: | C29 H32 Cl2 N4 O2 S | | SMILES: | O=C(N(C)C)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)cc1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)CCC5 | | InChi: | InChI=1S/C29H32Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22,25H,6-7,16H2,1-5H3/t22-,25+,29-/m0/s1 | | 定義日: | 2012-10-22 | | 最終更新日: | 2013-02-01 | | 公開日: | 2013-02-01 | | 識別子（ID）: | 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide |
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 | | 1DY | | 表記: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide | | 組成式: | C25 H22 N4 O4 | | SMILES: | O=C(Nc1ccccc1OC)c2ccc(cc2)NC(=O)CCC4=Nc3c(cccc3)C(=O)N4 | | InChi: | InChI=1S/C25H22N4O4/c1-33-21-9-5-4-8-20(21)28-24(31)16-10-12-17(13-11-16)26-23(30)15-14-22-27-19-7-3-2-6-18(19)25(32)29-22/h2-13H,14-15H2,1H3,(H,26,30)(H,28,31)(H,27,29,32) | | 定義日: | 2012-12-14 | | 最終更新日: | 2013-02-01 | | 公開日: | 2013-02-01 | | 識別子（ID）: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide |
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 | | 0YL | | 表記: | (2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid | | 組成式: | C25 H20 Br Cl N O5 P | | SMILES: | Brc1ccc(cc1)P(=O)(O)CC(C(=O)O)Cc4onc(c3ccc(c2cccc(Cl)c2)cc3)c4 | | InChi: | InChI=1S/C25H20BrClNO5P/c26-20-8-10-23(11-9-20)34(31,32)15-19(25(29)30)13-22-14-24(28-33-22)17-6-4-16(5-7-17)18-2-1-3-21(27)12-18/h1-12,14,19H,13,15H2,(H,29,30)(H,31,32)/t19-/m1/s1 | | 定義日: | 2012-09-14 | | 最終更新日: | 2013-02-01 | | 公開日: | 2013-02-01 | | 識別子（ID）: | (2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoic acid |
|
 | | 14E | | 表記: | (2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid | | 組成式: | C19 H17 Br N O5 P | | SMILES: | Brc1ccc(cc1)P(=O)(O)CC(C(=O)O)Cc3onc(c2ccccc2)c3 | | InChi: | InChI=1S/C19H17BrNO5P/c20-15-6-8-17(9-7-15)27(24,25)12-14(19(22)23)10-16-11-18(21-26-16)13-4-2-1-3-5-13/h1-9,11,14H,10,12H2,(H,22,23)(H,24,25)/t14-/m1/s1 | | 定義日: | 2012-10-04 | | 最終更新日: | 2013-02-01 | | 公開日: | 2013-02-01 | | 識別子（ID）: | (2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoic acid |
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 | | N50 | | 表記: | 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol | | 組成式: | C11 H16 N2 O4 | | SMILES: | O(c1nc(C=C(/CO)CO)c(c(OC)n1)C)C | | InChi: | InChI=1S/C11H16N2O4/c1-7-9(4-8(5-14)6-15)12-11(17-3)13-10(7)16-2/h4,14-15H,5-6H2,1-3H3 | | 定義日: | 2013-01-24 | | 最終更新日: | 2013-02-01 | | 公開日: | 2013-02-01 | | 識別子（ID）: | 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol |
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 | | 1G5 | | 表記: | HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | | 組成式: | C28 H40 N4 O7 S | | SMILES: | O=S(=O)(C)CCC(NC(=O)C(NC(=O)C(NC(=O)c1cccc(O)c1C)C(C)C)CO)Cc2ccc(cc2)CN | | InChi: | InChI=1S/C28H40N4O7S/c1-17(2)25(32-26(35)22-6-5-7-24(34)18(22)3)28(37)31-23(16-33)27(36)30-21(12-13-40(4,38)39)14-19-8-10-20(15-29)11-9-19/h5-11,17,21,23,25,33-34H,12-16,29H2,1-4H3,(H,30,36)(H,31,37)(H,32,35)/t21-,23+,25+/m1/s1 | | 定義日: | 2013-01-22 | | 最終更新日: | 2013-01-25 | | 公開日: | 2013-01-25 | | 識別子（ID）: | N-(3-hydroxy-2-methylbenzoyl)-L-valyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methylsulfonyl)butan-2-yl]-L-serinamide |
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 | | PVG | | 表記: | Phycoviolobilin, green light-absorbing form | | 組成式: | C33 H40 N4 O6 | | SMILES: | CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,15,27,35H,7-12,14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,28-15-/t27-/m0/s1 | | 定義日: | 2012-11-12 | | 最終更新日: | 2013-01-25 | | 公開日: | 2013-01-25 | | 識別子（ID）: | 3-[5-[[(2S)-3-ethyl-4-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-2-[(Z)-[5-[(E)-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid |
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