| MOH | Name: | METHANOL | Formula: | C H4 O | SMILES: | OC | InChi: | InChI=1S/CH4O/c1-2/h2H,1H3 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | methanol |
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| 0ZJ | Name: | N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide | Formula: | C23 H36 Cl N6 O4 S | SMILES: | O=C(NC(CCCNC(=[NH2+])N)C(O)CCl)C2N(C(=O)C(NC(=O)CS)Cc1ccccc1)CCC2 | InChi: | InChI=1S/C23H35ClN6O4S/c24-13-19(31)16(8-4-10-27-23(25)26)29-21(33)18-9-5-11-30(18)22(34)17(28-20(32)14-35)12-15-6-2-1-3-7-15/h1-3,6-7,16-19,31,35H,4-5,8-14H2,(H,28,32)(H,29,33)(H4,25,26,27)/p+1/t16-,17+,18-,19+/m0/s1 | Synonyms: | ATA-FPR-CH2Cl | Definition date: | 2008-08-05 | Last modified: | 2024-09-27 | Identifier: | N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide |
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| MOV | Name: | AMG 510 (bound form) | Formula: | C30 H32 F2 N6 O3 | SMILES: | CC1N(CCN(C1)C(=O)CC)C3=NC(=O)N(c2c(nccc2C)C(C)C)c4c3cc(F)c(n4)c5c(F)cccc5O | InChi: | InChI=1S/C30H32F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h7-11,14,16,18,39H,6,12-13,15H2,1-5H3/t18-/m0/s1 | Synonyms: | 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one | Definition date: | 2019-04-10 | Last modified: | 2024-09-27 | Release date: | 2019-11-06 | Identifier: | 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-propanoylpiperazin-1-yl]-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-2(1H)-one |
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| 0ZW | Name: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide | Formula: | C21 H44 B N4 O7 | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(O)OCCCO)CCCC[NH3+])C(C)C)C | InChi: | InChI=1S/C21H43BN4O7/c1-14(2)17(26-18(28)15(3)24-20(30)33-21(4,5)6)19(29)25-16(10-7-8-11-23)22(31)32-13-9-12-27/h14-17,27,31H,7-13,23H2,1-6H3,(H,24,30)(H,25,29)(H,26,28)/p+1/t15-,16-,17-/m0/s1 | Definition date: | 2008-08-18 | Last modified: | 2024-09-27 | Identifier: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide |
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| MOX | Name: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid | Formula: | C18 H18 N2 O9 | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O | InChi: | InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1 | Synonyms: | MOXALACTAM DERIVATIVE (open form) | Definition date: | 2000-08-11 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
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| 0ZX | Name: | N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide | Formula: | C22 H45 B N4 O6 | SMILES: | O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(B(OCC)OCC)CCCCN)C(C)C)C | InChi: | InChI=1S/C22H45BN4O6/c1-9-31-23(32-10-2)17(13-11-12-14-24)26-20(29)18(15(3)4)27-19(28)16(5)25-21(30)33-22(6,7)8/h15-18H,9-14,24H2,1-8H3,(H,25,30)(H,26,29)(H,27,28)/t16-,17-,18-/m0/s1 | Definition date: | 2009-02-04 | Last modified: | 2024-09-27 | Identifier: | N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide |
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| 0ZY | Name: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide | Formula: | C19 H40 B N4 O6 | SMILES: | O=C(NC(B(O)OC)CCCC[NH3+])C(NC(=O)C(NC(=O)OC(C)(C)C)C)C(C)C | InChi: | InChI=1S/C19H39BN4O6/c1-12(2)15(17(26)23-14(20(28)29-7)10-8-9-11-21)24-16(25)13(3)22-18(27)30-19(4,5)6/h12-15,28H,8-11,21H2,1-7H3,(H,22,27)(H,23,26)(H,24,25)/p+1/t13-,14-,15-/m0/s1 | Definition date: | 2008-08-19 | Last modified: | 2024-09-27 | Identifier: | N-(tert-butoxycarbonyl)-L-alanyl-N-{(1R)-5-ammonio-1-[hydroxy(methoxy)boranyl]pentyl}-L-valinamide |
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| 0ZZ | Name: | 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid | Formula: | C26 H33 Br N2 O6 S | SMILES: | Brc1cc(c(OC)cc1)CC(=O)NC(C(=O)NC(CC(=O)O)C(O)CSCc2ccccc2)C(C)C | InChi: | InChI=1S/C26H33BrN2O6S/c1-16(2)25(29-23(31)12-18-11-19(27)9-10-22(18)35-3)26(34)28-20(13-24(32)33)21(30)15-36-14-17-7-5-4-6-8-17/h4-11,16,20-21,25,30H,12-15H2,1-3H3,(H,28,34)(H,29,31)(H,32,33)/t20-,21+,25-/m0/s1 | Definition date: | 2008-08-15 | Last modified: | 2024-09-27 | Identifier: | 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid |
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| MOZ | Name: | (2Z)-2-amino-3-hydroxybut-2-enoic acid | Formula: | C4 H7 N O3 | SMILES: | O=C(O)C(=C(O)C)N | InChi: | InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2- | Definition date: | 2013-10-10 | Last modified: | 2024-09-27 | Release date: | 2014-12-10 | Identifier: | (2Z)-2-amino-3-hydroxybut-2-enoic acid |
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| MP4 | Name: | (2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid | Formula: | C9 H11 N O4 | SMILES: | O=C(O)C(c1cc(O)c(c(O)c1)C)N | InChi: | InChI=1S/C9H11NO4/c1-4-6(11)2-5(3-7(4)12)8(10)9(13)14/h2-3,8,11-12H,10H2,1H3,(H,13,14)/t8-/m0/s1 | Definition date: | 2012-02-10 | Last modified: | 2024-09-27 | Identifier: | (2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid |
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| 105 | Name: | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID | Formula: | C12 H12 B Cl N2 O4 | SMILES: | Clc1ccccc1c2noc(c2C(=O)NCB(O)O)C | InChi: | InChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17) | Synonyms: | CLOXACILLIN DERIVATIVE | Definition date: | 2000-09-27 | Last modified: | 2024-09-27 | Identifier: | [({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)methyl]boronic acid |
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| MP8 | Name: | (4R)-4-methyl-L-proline | Formula: | C6 H11 N O2 | SMILES: | O=C(O)C1NCC(C)C1 | InChi: | InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1 | Definition date: | 2009-08-18 | Last modified: | 2024-09-27 | Identifier: | (4R)-4-methyl-L-proline |
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| MPA | Name: | (1R)-MENTHYL HEXYL PHOSPHONATE GROUP | Formula: | C16 H33 O3 P | SMILES: | O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC | InChi: | InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate |
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| MPC | Name: | (1S)-MENTHYL HEXYL PHOSPHONATE GROUP | Formula: | C16 H33 O3 P | SMILES: | O=P(OC1CC(CCC1C(C)C)C)(O)CCCCCC | InChi: | InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl hydrogen (S)-hexylphosphonate |
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| MPE | Name: | (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID | Formula: | C12 H14 N2 O3 S | SMILES: | O=C(O)C(c2c1ccccc1nc2)NOCCS | InChi: | InChI=1S/C12H14N2O3S/c15-12(16)11(14-17-5-6-18)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,11,13-14,18H,5-6H2,(H,15,16)/t11-/m1/s1 | Definition date: | 2002-07-03 | Last modified: | 2024-09-27 | Identifier: | (2R)-1H-indol-3-yl[(2-sulfanylethoxy)amino]ethanoic acid |
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| MPL | Name: | N-METHYL-PYRIDOXAL-5'-PHOSPHATE | Formula: | C9 H13 N O6 P | SMILES: | O=P(O)(O)OCc1c[n+](c(c(O)c1C=O)C)C | InChi: | InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 4-formyl-3-hydroxy-1,2-dimethyl-5-[(phosphonooxy)methyl]pyridinium |
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| MPQ | Name: | N-METHYL-ALPHA-PHENYL-GLYCINE | Formula: | C9 H11 N O2 | SMILES: | O=C(O)C(NC)c1ccccc1 | InChi: | InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1 | Synonyms: | METHYLAMINO-PHENYL-ACETIC ACID | Definition date: | 1999-10-15 | Last modified: | 2024-09-27 | Identifier: | (2S)-(methylamino)(phenyl)ethanoic acid |
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| MPR | Name: | 2-MERCAPTO-PROPION ALDEHYDE | Formula: | C3 H6 O S | SMILES: | O=CCCS | InChi: | InChI=1S/C3H6OS/c4-2-1-3-5/h2,5H,1,3H2 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3-sulfanylpropanal |
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| MPT | Name: | BETA-MERCAPTOPROPIONIC ACID | Formula: | C3 H6 O2 S | SMILES: | O=C(O)CCS | InChi: | InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5) | Definition date: | 2001-01-26 | Last modified: | 2024-09-27 | Identifier: | 3-sulfanylpropanoic acid |
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| 110 | Name: | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER | Formula: | C28 H38 N4 O7 S | SMILES: | O=C(OCCCC)C(O)C(NC(=O)c1ccc2n1C(=O)CN(C2)S(=O)(=O)Cc3ccccc3)C4CCC(N)CC4 | InChi: | InChI=1S/C28H38N4O7S/c1-2-3-15-39-28(36)26(34)25(20-9-11-21(29)12-10-20)30-27(35)23-14-13-22-16-31(17-24(33)32(22)23)40(37,38)18-19-7-5-4-6-8-19/h4-8,13-14,20-21,25-26,34H,2-3,9-12,15-18,29H2,1H3,(H,30,35)/t20-,21-,25-,26-/m0/s1 | Synonyms: | BCH-10556 | Definition date: | 2000-11-07 | Last modified: | 2024-09-27 | Identifier: | butyl (2S,3S)-3-(trans-4-aminocyclohexyl)-3-({[2-(benzylsulfonyl)-4-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]carbonyl}amino)-2-hydroxypropanoate |
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| MQ2 | Name: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide | Formula: | C25 H32 Br N3 O2 | SMILES: | CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3ccc(Br)cc3)c1 | InChi: | InChI=1S/C25H32BrN3O2/c1-3-25(4-2,19-30)24(31)27-23-7-5-6-21(16-23)18-29-14-12-28(13-15-29)17-20-8-10-22(26)11-9-20/h5-11,16,19H,3-4,12-15,17-18H2,1-2H3,(H,27,31) | Definition date: | 2019-10-19 | Last modified: | 2024-09-27 | Release date: | 2021-07-14 | Identifier: | ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide |
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| 112 | Name: | THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER | Formula: | C12 H19 N6 O13 P3 S | SMILES: | O=P(O)(SCC(=O)N)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C12H19N6O13P3S/c13-6(19)2-35-34(26,27)31-33(24,25)30-32(22,23)28-1-5-8(20)9(21)12(29-5)18-4-17-7-10(14)15-3-16-11(7)18/h3-5,8-9,12,20-21H,1-2H2,(H2,13,19)(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)/t5-,8-,9-,12-/m1/s1 | Definition date: | 2000-12-04 | Last modified: | 2024-09-27 | Identifier: | 5'-O-[(S)-{[(S)-{[(R)-[(2-amino-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
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| MQ4 | Name: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid | Formula: | C9 H10 F3 N O3 | SMILES: | C(C(C=O)C=1CC(CC=1N)C(=O)O)(F)(F)F | InChi: | InChI=1S/C9H10F3NO3/c10-9(11,12)6(3-14)5-1-4(8(15)16)2-7(5)13/h3-4,6H,1-2,13H2,(H,15,16)/t4-,6+/m0/s1 | Definition date: | 2019-04-10 | Last modified: | 2024-09-27 | Release date: | 2019-09-18 | Identifier: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid |
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| MQQ | Name: | N-[(1S)-1-[({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-4-CARBOXAMIDE | Formula: | C32 H39 N3 O7 S2 | SMILES: | O=C(NC(C(=O)NC(CCS(=O)(=O)c1ccccc1)CCc2ccccc2)CCS(=O)(=O)c3ccccc3)N4CCOCC4 | InChi: | InChI=1S/C32H39N3O7S2/c36-31(30(34-32(37)35-20-22-42-23-21-35)19-25-44(40,41)29-14-8-3-9-15-29)33-27(17-16-26-10-4-1-5-11-26)18-24-43(38,39)28-12-6-2-7-13-28/h1-15,27,30H,16-25H2,(H,33,36)(H,34,37)/t27-,30-/m0/s1 | Definition date: | 2006-03-13 | Last modified: | 2024-09-27 | Identifier: | N-[(1S)-1-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}carbamoyl)-3-(phenylsulfonyl)propyl]morpholine-4-carboxamide |
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| 11Q | Name: | 1-(cyclohexylmethyl)-L-proline | Formula: | C12 H21 N O2 | SMILES: | O=C(O)C2N(CC1CCCCC1)CCC2 | InChi: | InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1 | Definition date: | 2012-09-29 | Last modified: | 2024-09-27 | Release date: | 2013-04-03 | Identifier: | 1-(cyclohexylmethyl)-L-proline |
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