| O01 | Name: | [5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine | Formula: | C9 H12 N4 S | SMILES: | n2c(sc(c1cc(CN)nn1)c2C)C | InChi: | InChI=1S/C9H12N4S/c1-5-9(14-6(2)11-5)8-3-7(4-10)12-13-8/h3H,4,10H2,1-2H3,(H,12,13) | Synonyms: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine | Definition date: | 2016-08-25 | Last modified: | 2020-06-17 | Release date: | 2016-09-07 | Identifier: | 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine |
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| 2R5 | Name: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide | Formula: | C27 H32 N6 O3 S | SMILES: | O=S(=O)(NC(C)(C)C)c1cccc(c1)Nc2nc(ncc2C)Nc4ccc(OCCn3cccc3)cc4 | InChi: | InChI=1S/C27H32N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h5-15,18-19,32H,16-17H2,1-4H3,(H2,28,29,30,31) | Synonyms: | TG101348 | Definition date: | 2014-01-10 | Last modified: | 2020-06-17 | Release date: | 2014-03-05 | Identifier: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(1H-pyrrol-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide |
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| 2RD | Name: | 5-(dodecylthio)-1H-1,2,3-triazole-4-carboxylic acid | Formula: | C15 H27 N3 O2 S | SMILES: | O=C(O)c1nnnc1SCCCCCCCCCCCC | InChi: | InChI=1S/C15H27N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-21-14-13(15(19)20)16-18-17-14/h2-12H2,1H3,(H,19,20)(H,16,17,18) | Synonyms: | 4-carboxy-5-dodecylsulfanyl-1,2,3-triazole | Definition date: | 2007-10-08 | Last modified: | 2020-06-17 | Identifier: | 5-(dodecylsulfanyl)-1H-1,2,3-triazole-4-carboxylic acid |
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| O16 | Name: | 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM | Formula: | C24 H16 N7 O2 S | SMILES: | O=C2c1cc(ccc1C(=O)NN2)[n+]5nc(nn5c3nc4ccccc4s3)C=Cc6ccccc6 | InChi: | InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+ | Synonyms: | 2-(2F-BENZOTHIAZOLYL)-5-STYRYL-3-(4F-PHTHALHYDRAZIDYL) TETRAZOLIUM CHLORIDE | Definition date: | 2003-11-13 | Last modified: | 2020-06-17 | Identifier: | 2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium |
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| 2S0 | Name: | [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen
ta[a]phenanthren-17-yl] acetate | Formula: | C30 H37 N O4 | SMILES: | O=C5C=C1C(=C3C(CC1)C4C(C)(CC3c2ccc(N(C)C)cc2)C(OC(=O)C)(C(=O)C)CC4)CC5 | InChi: | InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1 | Synonyms: | ulipristal acetate | Definition date: | 2014-06-19 | Last modified: | 2020-06-17 | Release date: | 2014-10-08 | Identifier: | (11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate |
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| 2SJ | Name: | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | Formula: | C21 H23 N O6 | SMILES: | O=C3C=C2C(c1c(cc(OC)c(OC)c1OC)CCC2NC(=O)C)=CC=C3O | InChi: | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1 | Synonyms: | Colchiceine | Definition date: | 2014-01-21 | Last modified: | 2020-06-17 | Release date: | 2014-01-29 | Identifier: | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide |
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| 2TM | Name: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine | Formula: | C10 H18 N3 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O | InChi: | InChI=1S/C10H18N3O13P3/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H2,11,12,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1 | Synonyms: | CMPcPP | Definition date: | 2014-01-30 | Last modified: | 2020-06-17 | Release date: | 2014-05-07 | Identifier: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine |
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| O31 | Name: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop
ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,
3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide | Formula: | C38 H46 F4 N6 O9 S | SMILES: | C7(C(C(NS(C1(C)CC1)(=O)=O)=O)(NC(C3CC4Oc6c(C(C=CCOC2C(CCC2)OC(=O)NC(C(N3C4)=O)C(C)(C)C)(F)F)nc5ccccc5n6)=O)C7)C(F)F | InChi: | InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1 | Synonyms: | glecaprevir | Definition date: | 2019-06-05 | Last modified: | 2020-06-17 | Release date: | 2020-06-10 | Identifier: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide |
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| O33 | Name: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-
L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Formula: | C40 H45 N5 O7 S2 | SMILES: | O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CSC)Cc5ccccc5)CSC6(C)C | InChi: | InChI=1S/C40H45N5O7S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-54-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-53-3)42-33(47)21-52-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1 | Synonyms: | KNI-10033 | Definition date: | 2007-04-18 | Last modified: | 2020-06-17 | Identifier: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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| O34 | Name: | yersiniabactin | Formula: | C21 H27 N3 O4 S3 | SMILES: | N1=C(SCC1C2NC(CS2)C(O)C(C3=NC(CS3)(C(O)=O)C)(C)C)c4c(O)cccc4 | InChi: | InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17+,21+/m0/s1 | Synonyms: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-met
hylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid | Definition date: | 2019-06-05 | Last modified: | 2020-06-17 | Release date: | 2020-03-04 | Identifier: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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| 8GC | Name: | 3-carbamoyl-1-methylpyridin-1-ium | Formula: | C7 H9 N2 O | SMILES: | C(N)(=O)c1ccc[n+](C)c1 | InChi: | InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1 | Synonyms: | 1-methylnicotinamide | Definition date: | 2017-07-03 | Last modified: | 2020-06-17 | Release date: | 2017-08-02 | Identifier: | 3-carbamoyl-1-methylpyridin-1-ium |
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| O59 | Name: | octane-1,8-diyl disulfamate | Formula: | C8 H20 N2 O6 S2 | SMILES: | O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N | InChi: | InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14) | Synonyms: | 1,8-Octanediol disulfamate | Definition date: | 2009-07-20 | Last modified: | 2020-06-17 | Identifier: | octane-1,8-diyl disulfamate |
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| 8HX | Name: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione | Formula: | C5 H4 N4 O3 | SMILES: | O=C2c1nc(O)nc1NC(=O)N2 | InChi: | InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) | Synonyms: | 8-hydroxyxanthine | Definition date: | 2013-10-29 | Last modified: | 2020-06-17 | Release date: | 2014-02-05 | Identifier: | 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione |
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| O6P | Name: | Doripenem | Formula: | C15 H24 N4 O6 S2 | SMILES: | C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C | InChi: | InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | Synonyms: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza
bicyclo[3.2.0]hept-2-ene-2-carboxylic acid | Definition date: | 2019-06-12 | Last modified: | 2020-06-17 | Release date: | 2019-08-07 | Identifier: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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| O7B | Name: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one | Formula: | C19 H24 N2 O | SMILES: | O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5 | InChi: | InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | Synonyms: | Palonosetron | Definition date: | 2020-02-17 | Last modified: | 2020-06-17 | Release date: | 2020-03-04 | Identifier: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one |
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| O7Z | Name: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid | Formula: | C17 H18 Cl2 O4 | SMILES: | CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 | InChi: | InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21) | Synonyms: | indanyloxyacetic acid-94 | Definition date: | 2020-02-19 | Last modified: | 2020-06-17 | Release date: | 2020-03-11 | Identifier: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
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| P2O | Name: | 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE | Formula: | C6 H7 N O2 | SMILES: | O=C1OCCN1CC#C | InChi: | InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2 | Synonyms: | 1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE | Definition date: | 2006-07-26 | Last modified: | 2020-06-17 | Identifier: | 3-prop-2-yn-1-yl-1,3-oxazolidin-2-one |
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| P2P | Name: | N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE | Formula: | C10 H13 N4 O8 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O | InChi: | InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1 | Synonyms: | PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | Definition date: | 2001-07-10 | Last modified: | 2020-06-17 | Identifier: | 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol |
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| P2Z | Name: | Promazine | Formula: | C17 H20 N2 S | SMILES: | S2c1ccccc1N(c3c2cccc3)CCCN(C)C | InChi: | InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 | Synonyms: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine | Definition date: | 2013-08-23 | Last modified: | 2020-06-17 | Release date: | 2014-01-22 | Identifier: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine |
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| P3D | Name: | (4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | Formula: | C13 H22 N3 O5 P | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C | InChi: | InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+ | Synonyms: | PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | Definition date: | 2007-05-16 | Last modified: | 2020-06-17 | Identifier: | (4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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| P3T | Name: | (4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | Formula: | C12 H22 N3 O5 P | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CNCCCCN)C | InChi: | InChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19) | Synonyms: | PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | Definition date: | 2007-05-16 | Last modified: | 2020-06-17 | Identifier: | (4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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| P42 | Name: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | Formula: | C42 H88 N O8 P | SMILES: | [O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1 | Synonyms: | 1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine | Definition date: | 2008-11-25 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate |
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| P4A | Name: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol | Formula: | C17 H16 N2 O3 | SMILES: | Oc3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3 | InChi: | InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19) | Synonyms: | 3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole | Definition date: | 2007-12-05 | Last modified: | 2020-06-17 | Identifier: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol |
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| P4D | Name: | (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid | Formula: | C13 H18 N O7 P | SMILES: | O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccc(O)cc1 | InChi: | InChI=1S/C13H18NO7P/c14-11(5-8-1-3-10(15)4-2-8)22(20,21)7-9(13(18)19)6-12(16)17/h1-4,9,11,15H,5-7,14H2,(H,16,17)(H,18,19)(H,20,21)/t9-,11+/m0/s1 | Synonyms: | L-TYR-D-ASP PHOSPHINATE PSEUDODIPEPTIDE | Definition date: | 2011-05-18 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid |
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| P4T | Name: | 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE | Formula: | C12 H12 N2 O S | SMILES: | O=C(c1sc(nc1C)Nc2ccccc2)C | InChi: | InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14) | Synonyms: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone | Definition date: | 2007-09-06 | Last modified: | 2020-06-17 | Identifier: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone |
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