 | | EHD | | Name: | 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE | | Formula: | C20 H16 N2 O4 | | SMILES: | O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)cccc5 | | InChi: | InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1 | | Synonyms: | CAMPTOTHECIN | | Definition date: | 2004-06-09 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
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 | | 4T4 | | Name: | (S)-1-(4-chlorophenyl)-7-isopropoxy-6-methoxy-2-(4-(methyl(((1r,4S)-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl)methyl)amino)phenyl)-1,2-dihydroisoquinolin-3(4H)-one | | Formula: | C38 H47 Cl N4 O4 | | SMILES: | CN6CCN(C5CCC(CN(c1ccc(cc1)N3C(c2ccc(Cl)cc2)c4c(CC3=O)cc(c(c4)OC(C)C)OC)C)CC5)CC6=O | | InChi: | InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1 | | Synonyms: | NVP-CGM097 | | Definition date: | 2015-05-21 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-29 | | Identifier: | (1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl}amino)phenyl]-7-(propan-2-yloxy)-1,4-dihydroisoquinolin-3(2H)-one |
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 | | 53U | | Name: | D-phenylalanyl-N-benzyl-L-prolinamide | | Formula: | C21 H25 N3 O2 | | SMILES: | O=C(NCc1ccccc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | | InChi: | InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1 | | Synonyms: | (2S)-1-((2R)-2-amino-3-phenyl-propanoyl)-N-(phenylmethyl)pyrrolidine-2-carboxamide | | Definition date: | 2008-01-08 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N-benzyl-L-prolinamide |
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 | | 223 | | Name: | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-OL | | Formula: | C12 H17 N5 O2 | | SMILES: | OCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C12H17N5O2/c13-12-11-10(15-6-16-12)7(1-14-11)2-17-3-8(5-18)9(19)4-17/h1,6,8-9,14,18-19H,2-5H2,(H2,13,15,16)/t8-,9+/m1/s1 | | Synonyms: | 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-A | | Definition date: | 2006-10-24 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-ol |
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 | | 242 | | Name: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | | Formula: | C23 H17 F3 N4 O | | SMILES: | FC(F)(F)c1cccc(c1)NC(=O)c4cc(c3cc2c(nc(nc2)N)cc3)c(cc4)C | | InChi: | InChI=1S/C23H17F3N4O/c1-13-5-6-15(21(31)29-18-4-2-3-17(11-18)23(24,25)26)10-19(13)14-7-8-20-16(9-14)12-28-22(27)30-20/h2-12H,1H3,(H,29,31)(H2,27,28,30) | | Synonyms: | AMINOQUINAZOLINE 1 | | Definition date: | 2007-01-09 | | Last modified: | 2021-03-01 | | Identifier: | 3-(2-aminoquinazolin-6-yl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide |
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 | | 274 | | Name: | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | | Formula: | C28 H30 Cl N5 O4 S | | SMILES: | O=C(N1CCN(C)CC1)c5c(c(/C=C3/c2cc(ccc2NC3=O)S(=O)(=O)N(c4cccc(Cl)c4)C)nc5C)C | | InChi: | InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16- | | Synonyms: | MET KINASE INHIBITOR | | Definition date: | 2006-10-17 | | Last modified: | 2021-03-01 | | Identifier: | (3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
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 | | 28S | | Name: | 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine | | Formula: | C11 H10 Br N3 | | SMILES: | Brc2cc1c(ncnc1NCC=C)cc2 | | InChi: | InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15) | | Synonyms: | SMER28 | | Definition date: | 2011-07-12 | | Last modified: | 2021-03-01 | | Identifier: | 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine |
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 | | 2AQ | | Name: | QUINOLIN-2-AMINE | | Formula: | C9 H8 N2 | | SMILES: | n1c(ccc2ccccc12)N | | InChi: | InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) | | Synonyms: | 2-AMINOQUINOLINE | | Definition date: | 2007-01-12 | | Last modified: | 2021-03-01 | | Identifier: | quinolin-2-amine |
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 | | 2BX | | Name: | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid | | Formula: | C8 H15 N O3 | | SMILES: | O=C(O)CC1OCC(NC1)(C)C | | InChi: | InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1 | | Synonyms: | SCH50911 | | Definition date: | 2013-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid |
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 | | BLG | | Name: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE | | Formula: | C16 H30 N3 O14 S2 | | SMILES: | O=S(=O)(O)CCNC(=O)C2CC(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C(CO)[NH2+]2 | | InChi: | InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1 | | Synonyms: | BULGECIN A | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2R,3S,5S)-2-(hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]pyrrolidinium-3-yl 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-glucopyranoside |
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 | | BNI | | Name: | 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE | | Formula: | C16 H20 N4 O4 S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)Nc3ccc([N+]([O-])=O)cc3 | | InChi: | InChI=1S/C16H20N4O4S/c21-14(17-10-5-7-11(8-6-10)20(23)24)4-2-1-3-13-15-12(9-25-13)18-16(22)19-15/h5-8,12-13,15H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1 | | Synonyms: | BIOTINYL P-NITROANILINE | | Definition date: | 2001-03-23 | | Last modified: | 2021-03-01 | | Identifier: | N-(4-nitrophenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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 | | BUK | | Name: | N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE | | Formula: | C27 H42 Br N9 O5 S | | SMILES: | Brc1ccc(cc1)C(NC(=O)NC(C(=O)NC(C(=O)NC(C(O)C2SC=CN2)CCCNC(=[N@H])N)C(C)C)CC(=O)N)C | | InChi: | InChI=1S/C27H42BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21-22,25,32,39H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+,22+,25+/m1/s1 | | Synonyms: | N-((R)-1-(4-BROMOPHENYL)ETHYL)UREA-ASN-VAL-ARG-ALPHA-KETOTHIAZOLE | | Definition date: | 2005-06-09 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-{[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}-L-asparaginyl-N-{(1S)-4-carbamimidamido-1-[(S)-(2S)-2,3-dihydro-1,3-thiazol-2-yl(hydroxy)methyl]butyl}-L-valinamide |
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 | | F89 | | Name: | S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID | | Formula: | C27 H24 N4 O6 | | SMILES: | O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O | | InChi: | InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1 | | Synonyms: | FOLATE ANALOG 1843U89 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid |
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 | | FBQ | | Name: | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL | | Formula: | C20 H18 F4 N2 O2 S | | SMILES: | FC(F)(F)C(O)(O)c1cccc(c1)CSCc2c(c3c(F)cccc3nc2C)N | | InChi: | InChI=1S/C20H18F4N2O2S/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26) | | Synonyms: | 4-AMINO-5-FLUORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLTHIOMETHYL)QUINOLINE | | Definition date: | 2001-04-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol |
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 | | FCC | | Name: | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one | | Formula: | C26 H21 N3 O | | SMILES: | O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5 | | InChi: | InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2 | | Synonyms: | Linopirdine | | Definition date: | 2020-04-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-02 | | Identifier: | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one |
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 | | FIT | | Name: | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide | | Formula: | C23 H36 N2 O2 | | SMILES: | O=C(NC(C)(C)C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C | | InChi: | InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1 | | Synonyms: | FINASTERIDE | | Definition date: | 2009-02-11 | | Last modified: | 2021-03-01 | | Identifier: | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide |
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 | | 917 | | Name: | N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide | | Formula: | C15 H15 N3 O3 S | | SMILES: | c2cc(c1cncs1)ccc2N3CC(CNC(C)=O)OC3=O | | InChi: | InChI=1S/C15H15N3O3S/c1-10(19)17-6-13-8-18(15(20)21-13)12-4-2-11(3-5-12)14-7-16-9-22-14/h2-5,7,9,13H,6,8H2,1H3,(H,17,19)/t13-/m0/s1 | | Synonyms: | Llinezolid-114 | | Definition date: | 2017-03-24 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-20 | | Identifier: | N-({(5S)-2-oxo-3-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)acetamide |
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 | | CQL | | Name: | 5-chloro-7-iodoquinolin-8-ol | | Formula: | C9 H5 Cl I N O | | SMILES: | Ic1c(O)c2ncccc2c(Cl)c1 | | InChi: | InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H | | Synonyms: | Clioquinol | | Definition date: | 2009-10-28 | | Last modified: | 2021-03-01 | | Identifier: | 5-chloro-7-iodoquinolin-8-ol |
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 | | CS1 | | Name: | S-(2-ANILINYL-SULFANYL)-CYSTEINE | | Formula: | C9 H12 N2 O2 S2 | | SMILES: | O=C(O)C(N)CSSc1ccccc1N | | InChi: | InChI=1S/C9H12N2O2S2/c10-6-3-1-2-4-8(6)15-14-5-7(11)9(12)13/h1-4,7H,5,10-11H2,(H,12,13)/t7-/m0/s1 | | Synonyms: | 3-[(2-AMINOPHENYL)DITHIO]-L-ALANINE | | Definition date: | 2007-02-02 | | Last modified: | 2021-03-01 | | Identifier: | 3-[(2-aminophenyl)disulfanyl]-L-alanine |
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 | | D0R | | Name: | N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide | | Formula: | C32 H45 N5 O3 S | | SMILES: | O=C(NC(Cc1ccccc1)CC(O)C(N)Cc2ccccc2)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)C | | InChi: | InChI=1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1 | | Synonyms: | desthiazolylmethyloxycarbonyl ritonavir | | Definition date: | 2011-08-26 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide |
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 | | D1V | | Name: | 2-mercapto(3H)quinazolinone | | Formula: | C8 H6 N2 O S | | SMILES: | O=C1c2c(N=C(S)N1)cccc2 | | InChi: | InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12) | | Synonyms: | 2-sulfanylquinazolin-4(3H)-one | | Definition date: | 2008-05-08 | | Last modified: | 2021-03-01 | | Identifier: | 2-sulfanylquinazolin-4(3H)-one |
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 | | D23 | | Name: | 6-(3-AMINOPHENYL)-N-(TERT-BUTYL)-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE | | Formula: | C19 H19 F3 N4 | | SMILES: | FC(F)(F)c3nc1c(cc(cc1)c2cccc(N)c2)c(n3)NC(C)(C)C | | InChi: | InChI=1S/C19H19F3N4/c1-18(2,3)26-16-14-10-12(11-5-4-6-13(23)9-11)7-8-15(14)24-17(25-16)19(20,21)22/h4-10H,23H2,1-3H3,(H,24,25,26) | | Synonyms: | DIN-234325 | | Definition date: | 2005-09-28 | | Last modified: | 2021-03-01 | | Identifier: | 6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine |
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 | | E13 | | Name: | N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide | | Formula: | C37 H53 N5 O7 S | | SMILES: | O=C(NCC(C)(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)NC(=O)OC)C(C)(C)C)Cc2ccccc2)CSC3(C)C | | InChi: | InChI=1S/C37H53N5O7S/c1-35(2,3)21-38-32(46)29-37(7,8)50-22-42(29)33(47)27(43)25(20-23-16-12-10-13-17-23)39-31(45)28(36(4,5)6)41-30(44)26(40-34(48)49-9)24-18-14-11-15-19-24/h10-19,25-29,43H,20-22H2,1-9H3,(H,38,46)(H,39,45)(H,40,48)(H,41,44)/t25-,26-,27-,28+,29+/m0/s1 | | Synonyms: | KNI-10562 | | Definition date: | 2010-02-05 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3S)-4-{(4R)-4-[(2,2-dimethylpropyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-N~2~-{(2S)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-3-methyl-L-valinamide |
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 | | E17 | | Name: | N-{(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-{[(1R)-1,2,2-trimethylpropyl]carbamoyl}-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide | | Formula: | C42 H62 N6 O7 S | | SMILES: | O=C(NC(C)C(C)(C)C)C4N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)NC(=O)CN2CCOCC2)C(C)(C)C)Cc3ccccc3)CSC4(C)C | | InChi: | InChI=1S/C42H62N6O7S/c1-27(40(2,3)4)43-38(53)35-42(8,9)56-26-48(35)39(54)33(50)30(24-28-16-12-10-13-17-28)44-37(52)34(41(5,6)7)46-36(51)32(29-18-14-11-15-19-29)45-31(49)25-47-20-22-55-23-21-47/h10-19,27,30,32-35,50H,20-26H2,1-9H3,(H,43,53)(H,44,52)(H,45,49)(H,46,51)/t27-,30+,32+,33+,34-,35-/m1/s1 | | Synonyms: | KNI-10729 | | Definition date: | 2010-02-05 | | Last modified: | 2021-03-01 | | Identifier: | N-{(2S,3S)-4-[(4R)-4-{[(2R)-3,3-dimethylbutan-2-yl]carbamoyl}-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-N~2~-{(2S)-2-[(morpholin-4-ylacetyl)amino]-2-phenylacetyl}-L-valinamide |
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 | | EAL | | Name: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE | | Formula: | C18 H24 N2 O5 | | SMILES: | O=C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)C)CCC2 | | InChi: | InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1 | | Synonyms: | ENALAPRILAT INHIBITOR | | Definition date: | 2004-03-11 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline |
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