 | | ERF | | 表記: | phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid | | 組成式: | C7 H9 B N3 O5 P S | | SMILES: | OB(Cn1cc(nn1)c2cscc2)O[P](O)(O)=O | | InChi: | InChI=1S/C7H9BN3O5PS/c12-8(16-17(13,14)15)5-11-3-7(9-10-11)6-1-2-18-4-6/h1-4,12H,5H2,(H2,13,14,15) | | 定義日: | 2019-08-16 | | 最終更新日: | 2020-06-19 | | 公開日: | 2020-06-24 | | 識別子（ID）: | phosphonooxy-[(4-thiophen-3-yl-1,2,3-triazol-1-yl)methyl]borinic acid |
|
 | | FHX | | 表記: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile | | 組成式: | C16 H18 N6 O | | SMILES: | C[CH]1CN(C(=O)CC#N)[C]12CCN(C2)c3ncnc4[nH]ccc34 | | InChi: | InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1 | | 定義日: | 2020-05-14 | | 最終更新日: | 2020-06-19 | | 公開日: | 2020-06-24 | | 識別子（ID）: | 3-[(3~{S},4~{R})-3-methyl-7-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile |
|
 | | SOP | | 表記: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL
(3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN
DIPHOSPHATE | | 組成式: | C24 H40 N7 O17 P3 S | | SMILES: | O=C(C)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C24H40N7O17P3S/c1-13(32)9-52-7-6-26-15(33)4-5-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-8-14-18(47-49(37,38)39)17(34)23(46-14)31-12-30-16-20(25)28-11-29-21(16)31/h11-12,14,17-19,23,34-35H,4-10H2,1-3H3,(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t14-,17-,18-,19+,23-/m1/s1 | | 別名: | S-(2-OXOPROPYL)-COENZYME A | | 定義日: | 2006-03-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
|
 | | YT5 | | 表記: | Moiramide B | | 組成式: | C25 H31 N3 O5 | | SMILES: | CC=CC=CC(=O)N[CH](CC(=O)N[CH](C(C)C)C(=O)[CH]1[CH](C)C(=O)NC1=O)c2ccccc2 | | InChi: | InChI=1S/C25H31N3O5/c1-5-6-8-13-19(29)26-18(17-11-9-7-10-12-17)14-20(30)27-22(15(2)3)23(31)21-16(4)24(32)28-25(21)33/h5-13,15-16,18,21-22H,14H2,1-4H3,(H,26,29)(H,27,30)(H,28,32,33)/b6-5+,13-8+/t16-,18-,21+,22-/m0/s1 | | 別名: | (2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxi
danylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide | | 定義日: | 2016-06-09 | | 最終更新日: | 2020-06-17 | | 公開日: | 2016-08-10 | | 識別子（ID）: | (2~{E},4~{E})-~{N}-[(1~{S})-3-[[(2~{S})-3-methyl-1-[(3~{R},4~{S})-4-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-1-phenyl-propyl]hexa-2,4-dienamide |
|
 | | RUN | | 表記: | 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE | | 組成式: | C38 H46 N4 O5 | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(O)CC(c2ncc(n2)C(=O)C(C)C)Cc3ccccc3)Cc4ccccc4)C(C)C | | InChi: | InChI=1S/C38H46N4O5/c1-25(2)34(42-38(46)47-24-29-18-12-7-13-19-29)37(45)41-31(21-28-16-10-6-11-17-28)33(43)22-30(20-27-14-8-5-9-15-27)36-39-23-32(40-36)35(44)26(3)4/h5-19,23,25-26,30-31,33-34,43H,20-22,24H2,1-4H3,(H,39,40)(H,41,45)(H,42,46)/t30-,31+,33+,34+/m1/s1 | | 別名: | SB206343 | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | N-{(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl}-N~2~-[(benzyloxy)carbonyl]-L-valinamide |
|
 | | MYU | | 表記: | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE | | 組成式: | C15 H10 O8 | | SMILES: | O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2 | | InChi: | InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H | | 別名: | 2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE | | 定義日: | 2007-07-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one |
|
 | | 197 | | 表記: | 4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID | | 組成式: | C32 H33 N3 O6 | | SMILES: | O=Cc1cc(ccc1C(=O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | | InChi: | InChI=1S/C32H33N3O6/c1-21(37)33-29(18-23-12-15-27(32(40)41)26(17-23)20-36)30(38)34-28-9-5-6-16-35(31(28)39)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,28-29H,5-6,9,16,18-19H2,1H3,(H,33,37)(H,34,38)(H,40,41)/t28-,29-/m0/s1 | | 別名: | RU82197 | | 定義日: | 2003-06-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-formylbenzoic acid |
|
 | | NDH | | 表記: | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE | | 組成式: | C10 H10 O2 | | SMILES: | OC2C=Cc1c(cccc1)C2O | | InChi: | InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H/t9-,10+/m0/s1 | | 別名: | (1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL | | 定義日: | 2002-11-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,2S)-1,2-dihydronaphthalene-1,2-diol |
|
 | | UP6 | | 表記: | 6-AZA URIDINE 5'-MONOPHOSPHATE | | 組成式: | C8 H12 N3 O9 P | | SMILES: | O=C1N(N=CC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1 | | 別名: | 6-AZA-UMP | | 定義日: | 2000-02-02 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-(5-O-phosphono-beta-D-ribofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione |
|
 | | MZ0 | | 表記: | 1H-imidazol-5-ylmethanol | | 組成式: | C4 H6 N2 O | | SMILES: | OCc1cncn1 | | InChi: | InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6) | | 別名: | 4(5)-(hydroxymethyl)imidazole | | 定義日: | 2012-10-26 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-10-23 | | 識別子（ID）: | 1H-imidazol-5-ylmethanol |
|
 | | 19F | | 表記: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one | | 組成式: | C27 H32 N4 O4 | | SMILES: | O=C1c3c(nc(n3N=C(N1)Cc2ccc(OC)c(OC)c2)C(CCCc4ccccc4)C(O)C)C | | InChi: | InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1 | | 別名: | BAY60-7550 | | 定義日: | 2012-11-08 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-08-28 | | 識別子（ID）: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one |
|
 | | TXC | | 表記: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate | | 組成式: | C13 H20 N6 O4 | | SMILES: | O=C2NC(=Nc1c2ncn1COCCOC(=O)C(N)C(C)C)N | | InChi: | InChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1 | | 別名: | Valacyclovir | | 定義日: | 2012-04-18 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate |
|
 | | TXE | | 表記: | [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph
osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate | | 組成式: | C21 H31 N7 O14 P2 | | SMILES: | NC(=O)[CH]1CC=CN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3,7-11,13-16,20-21,29-32H,2,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | 別名: | 1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | | 定義日: | 2013-10-31 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-10-29 | | 識別子（ID）: | [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
|
 | | UPF | | 表記: | URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE | | 組成式: | C15 H23 F N2 O16 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9+,10-,11-,12-,13-,14-/m1/s1 | | 別名: | URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER | | 定義日: | 2000-11-30 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
|
 | | SPB | | 表記: | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | | 組成式: | C19 H19 N O3 | | SMILES: | O=C(Nc1ccc(cc1)C=Cc2ccccc2)CCCC(=O)O | | InChi: | InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+ | | 別名: | 5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID | | 定義日: | 2000-09-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid |
|
 | | UCB | | 表記: | 1-(CYCLOHEPTYLMETHYL)-4-{[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO}-1-ETHYLPIPERIDINIUM | | 組成式: | C29 H37 Cl2 N2 O2 | | SMILES: | Clc5cc2c(Oc1ccc(Cl)cc1C2C(=O)NC4CC[N+](CC)(CC3CCCCCC3)CC4)cc5 | | InChi: | InChI=1S/C29H36Cl2N2O2/c1-2-33(19-20-7-5-3-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1/t23-,33- | | 別名: | UCB35625 | | 定義日: | 2004-12-07 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | trans-1-(cycloheptylmethyl)-4-{[(2,7-dichloro-9H-xanthen-9-yl)carbonyl]amino}-1-ethylpiperidinium |
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 | | YTZ | | 表記: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide | | 組成式: | C9 H9 N3 O2 S2 | | SMILES: | O=S(=O)(Nc1nccs1)c2ccc(N)cc2 | | InChi: | InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12) | | 別名: | Sulfathiazole | | 定義日: | 2011-10-14 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide |
|
 | | NSE | | 表記: | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile | | 組成式: | C14 H8 N4 O | | SMILES: | N#Cc3cccc(c1nc(no1)c2cnccc2)c3 | | InChi: | InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H | | 別名: | NS9283 | | 定義日: | 2013-12-26 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-07-08 | | 識別子（ID）: | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
|
 | | TXQ | | 表記: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione | | 組成式: | C14 H8 O6 | | SMILES: | O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O | | InChi: | InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H | | 別名: | 1,2,5,8-tetrahydroxy-anthraquinone | | 定義日: | 2008-12-22 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1,2,5,8-tetrahydroxyanthracene-9,10-dione |
|
 | | ZZ1 | | 表記: | 4-METHYL-2H-CHROMEN-2-ONE | | 組成式: | C10 H8 O2 | | SMILES: | O=C2Oc1ccccc1C(=C2)C | | InChi: | InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3 | | 別名: | 4-METHYLUMBELLIFERYL | | 定義日: | 2006-03-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-methyl-2H-chromen-2-one |
|
 | | TXS | | 表記: | 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione | | 組成式: | C14 H21 N3 O4 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3 | | InChi: | InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1 | | 別名: | 5'-deoxy-5'-pyrrolidin-1-ylthymidine | | 定義日: | 2008-05-28 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | MZJ | | 表記: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one | | 組成式: | C25 H27 N5 O2 | | SMILES: | n1c(c(c(nc1)N)c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C)CC4 | | InChi: | InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29) | | 別名: | Evobrutinib | | 定義日: | 2019-04-24 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-08-14 | | 識別子（ID）: | 1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one |
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 | | RVI | | 表記: | (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide | | 組成式: | C29 H37 N3 O | | SMILES: | O=C(NCC1CCCCC1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C | | InChi: | InChI=1S/C29H37N3O/c1-3-9-23(29(33)31-19-21-11-5-4-6-12-21)17-25-18-24-16-22(14-15-27(24)32-28(25)30)26-13-8-7-10-20(26)2/h7-8,10,13-16,18,21,23H,3-6,9,11-12,17,19H2,1-2H3,(H2,30,32)(H,31,33)/t23-/m1/s1 | | 別名: | 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide | | 定義日: | 2011-05-10 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide |
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 | | ZIL | | 表記: | N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine | | 組成式: | C20 H30 N2 O5 | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C | | InChi: | InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)/t14-,16-,17-/m0/s1 | | 別名: | Z-Ile-Leu | | 定義日: | 2014-07-23 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-10-08 | | 識別子（ID）: | N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine |
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 | | ZZ7 | | 表記: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | 組成式: | C16 H21 N3 O5 S | | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N | | InChi: | InChI=1S/C16H21N3O5S/c1-16(2)11(15(23)24)19-13(25-16)10(14(21)22)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,13,19H,17H2,1-2H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,11+,13-/m1/s1 | | 別名: | AMPICILLIN (open form) | | 定義日: | 2009-06-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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