 | | 1ZG | | Name: | N-(3-carboxypropanoyl)-L-valyl-N-{(1R)-1-[(S)-hydroxy(oxido)phosphanyl]-2-phenylethyl}-L-prolinamide | | Formula: | C22 H32 N3 O8 P | | SMILES: | O=C(NC(Cc1ccccc1)P(=O)(O)O)C2N(C(=O)C(NC(=O)CCC(=O)O)C(C)C)CCC2 | | InChi: | InChI=1S/C22H32N3O8P/c1-14(2)20(23-17(26)10-11-19(27)28)22(30)25-12-6-9-16(25)21(29)24-18(34(31,32)33)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18,20H,6,9-13H2,1-2H3,(H,23,26)(H,24,29)(H,27,28)(H2,31,32,33)/t16-,18+,20-/m0/s1 | | Definition date: | 2008-08-25 | | Last modified: | 2024-09-27 | | Identifier: | N-(3-carboxypropanoyl)-L-valyl-N-[(1R)-2-phenyl-1-phosphonoethyl]-L-prolinamide |
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 | | 1ZN | | Name: | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid | | Formula: | C20 H29 N O3 | | SMILES: | O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C | | InChi: | InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16-,18-,19-/m0/s1 | | Definition date: | 2008-12-11 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid |
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 | | MEE | | Name: | METHANETHIOL | | Formula: | C H4 S | | SMILES: | SC | | InChi: | InChI=1S/CH4S/c1-2/h2H,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | methanethiol |
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 | | MEG | | Name: | (2S,3S)-2-azanyl-3-methyl-pentanedioic acid | | Formula: | C6 H11 N O4 | | SMILES: | O=C(O)C(N)C(CC(=O)O)C | | InChi: | InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5-/m0/s1 | | Synonyms: | (3S)-3-methyl-L-glutamic acid | | Definition date: | 2004-05-16 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-methyl-L-glutamic acid |
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 | | 1ZV | | Name: | amino({3-[(3R,5R,14S,16S,21aR)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium | | Formula: | C30 H50 N7 O5 | | SMILES: | O=C1N3C(C(=O)NC(C(=O)C(O)NCCCCCCCC(O)NC1CCc2ccccc2)CCCNC(=[NH2+])N)CCC3 | | InChi: | InChI=1S/C30H49N7O5/c31-30(32)34-19-9-13-22-26(39)28(41)33-18-8-3-1-2-7-15-25(38)35-23(17-16-21-11-5-4-6-12-21)29(42)37-20-10-14-24(37)27(40)36-22/h4-6,11-12,22-25,28,33,35,38,41H,1-3,7-10,13-20H2,(H,36,40)(H4,31,32,34)/p+1/t22-,23+,24-,25+,28?/m0/s1 | | Definition date: | 2008-08-27 | | Last modified: | 2024-09-27 | | Identifier: | amino({3-[(3S,5R,14R,16R,21aS)-5,14-dihydroxy-1,4,17-trioxo-16-(2-phenylethyl)icosahydro-1H-pyrrolo[1,2-d][1,4,7,11]tetraazacyclononadecin-3-yl]propyl}amino)methaniminium |
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 | | 200 | | Name: | 4-CHLORO-L-PHENYLALANINE | | Formula: | C9 H10 Cl N O2 | | SMILES: | Clc1ccc(cc1)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2005-09-15 | | Last modified: | 2024-09-27 | | Identifier: | 4-chloro-L-phenylalanine |
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 | | MEN | | Name: | N-METHYL ASPARAGINE | | Formula: | C5 H10 N2 O3 | | SMILES: | O=C(NC)CC(N)C(=O)O | | InChi: | InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-L-asparagine |
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 | | MEQ | | Name: | N5-METHYLGLUTAMINE | | Formula: | C6 H12 N2 O3 | | SMILES: | O=C(O)C(N)CCC(=O)NC | | InChi: | InChI=1S/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 | | Definition date: | 2003-02-14 | | Last modified: | 2024-09-27 | | Identifier: | N-methyl-L-glutamine |
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 | | MER | | Name: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d
ihydro-1H-pyrrole-2-carboxylic acid | | Formula: | C17 H27 N3 O5 S | | SMILES: | O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(N2)C(C=O)C(O)C)C | | InChi: | InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-/m1/s1 | | Synonyms: | Meropenem, bound form | | Definition date: | 2001-02-17 | | Last modified: | 2024-09-27 | | Identifier: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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 | | MES | | Name: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | | Formula: | C6 H13 N O4 S | | SMILES: | [O-]S(=O)(=O)CC[NH+]1CCOCC1 | | InChi: | InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-morpholin-4-ium-4-ylethanesulfonate |
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 | | MET | | Name: | METHIONINE | | Formula: | C5 H11 N O2 S | | SMILES: | O=C(O)C(N)CCSC | | InChi: | InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-methionine |
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 | | MEU | | Name: | O-METHYL-GLYCINE | | Formula: | C3 H7 N O2 | | SMILES: | O=C(OC)CN | | InChi: | InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3 | | Definition date: | 2004-03-26 | | Last modified: | 2024-09-27 | | Identifier: | methyl glycinate |
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 | | MEZ | | Name: | (2E)-2-METHYLBUT-2-ENEDIOIC ACID | | Formula: | C5 H6 O4 | | SMILES: | O=C(O)C=C(C(=O)O)C | | InChi: | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ | | Synonyms: | MESACONIC ACID | | Definition date: | 2004-11-18 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-2-methylbut-2-enedioic acid |
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 | | 20G | | Name: | N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide | | Formula: | C17 H22 Cl2 N2 O3 S | | SMILES: | O=C(N1CCC(NC(=O)CCCS)CC1)COc2ccc(Cl)cc2Cl | | InChi: | InChI=1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22) | | Definition date: | 2013-08-12 | | Last modified: | 2024-09-27 | | Release date: | 2013-11-27 | | Identifier: | N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}-4-sulfanylbutanamide |
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 | | 20H | | Name: | 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide | | Formula: | C16 H20 Cl2 N2 O3 S | | SMILES: | O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl | | InChi: | InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22) | | Definition date: | 2013-08-12 | | Last modified: | 2024-09-27 | | Release date: | 2013-11-27 | | Identifier: | 1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide |
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 | | MF2 | | Name: | CIS-2,6-DIMETHYLMORPHOLINOOCTYLCARBAMYLESEROLINE | | Formula: | C15 H30 N2 O2 | | SMILES: | O=CNCCCCCCCCN1CC(OC(C)C1)C | | InChi: | InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+ | | Synonyms: | MF268 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide |
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 | | MFC | | Name: | 5-[1-(3-FLUORO-4-HYDROXY-PHENYL)-METH-(Z)-YLIDENE]-3,5-DIHYDRO-IMIDAZOL-4-ONE | | Formula: | C15 H16 F N3 O5 | | SMILES: | Fc1c(O)ccc(c1)C=C2/N=C(N(C2=O)CC(=O)O)C(N)C(O)C | | InChi: | InChI=1S/C15H16FN3O5/c1-7(20)13(17)14-18-10(15(24)19(14)6-12(22)23)5-8-2-3-11(21)9(16)4-8/h2-5,7,13,20-21H,6,17H2,1H3,(H,22,23)/b10-5-/t7-,13+/m1/s1 | | Definition date: | 2004-01-05 | | Last modified: | 2024-09-27 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-fluoro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | MFD | | Name: | (2S,3S,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-DIENOIC ACID | | Formula: | C20 H29 N O3 | | SMILES: | O=C(O)C(C)C(N)/C=C/C(=C/C(C(OC)Cc1ccccc1)C)C | | InChi: | InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)/b11-10+,14-12+/t15-,16+,18+,19-/m1/s1 | | Definition date: | 1999-08-05 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S,4E,6E,8R,9R)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid |
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 | | MFH | | Name: | [(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid | | Formula: | C10 H14 N2 O3 | | SMILES: | N[CH](CNC(O)=O)Cc1ccc(O)cc1 | | InChi: | InChI=1S/C10H14N2O3/c11-8(6-12-10(14)15)5-7-1-3-9(13)4-2-7/h1-4,8,12-13H,5-6,11H2,(H,14,15)/t8-/m0/s1 | | Definition date: | 2019-10-12 | | Last modified: | 2024-09-27 | | Release date: | 2021-02-17 | | Identifier: | [(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid |
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 | | MFL | | Name: | tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Formula: | C25 H37 N5 O7 | | SMILES: | CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)OC(C)(C)C)C3=O | | InChi: | InChI=1S/C25H37N5O7/c1-25(2,3)37-24(36)29-16-6-5-11-30(23(16)35)18(12-14-7-8-14)21(33)28-17(19(31)22(34)26-4)13-15-9-10-27-20(15)32/h5-6,11,14-15,17-19,31H,7-10,12-13H2,1-4H3,(H,26,34)(H,27,32)(H,28,33)(H,29,36)/t15-,17-,18-,19+/m0/s1 | | Synonyms: | tert-butyl (1-((S)-3-cyclopropyl-1-(((S)-4-(methylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | | Definition date: | 2022-07-27 | | Last modified: | 2024-09-27 | | Release date: | 2023-08-16 | | Identifier: | ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate |
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 | | 0UO | | Name: | 4-methoxy-L-tryptophan | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1c(cccc1OC)nc2 | | InChi: | InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1 | | Definition date: | 2012-06-20 | | Last modified: | 2024-09-27 | | Release date: | 2012-09-21 | | Identifier: | 4-methoxy-L-tryptophan |
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 | | MFV | | Name: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C16 H19 N3 O5 | | SMILES: | NC(C(O)C)C1=N/C(C(N1CC(O)=O)=O)=Cc2cc(C)c(cc2)O | | InChi: | InChI=1S/C16H19N3O5/c1-8-5-10(3-4-12(8)21)6-11-16(24)19(7-13(22)23)15(18-11)14(17)9(2)20/h3-6,9,14,20-21H,7,17H2,1-2H3,(H,22,23)/b11-6-/t9-,14+/m1/s1 | | Synonyms: | PEPTIDE DERIVED CHROMOPHORE | | Definition date: | 2019-04-02 | | Last modified: | 2024-09-27 | | Release date: | 2019-07-10 | | Identifier: | {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | 0UZ | | Name: | (2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid | | Formula: | C8 H8 Cl N O3 | | SMILES: | Clc1cc(ccc1O)C(C(=O)O)N | | InChi: | InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1 | | Definition date: | 2012-06-27 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid |
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 | | MG2 | | Name: | (2S,4R)-N-[1-(iminomethyl)cyclopropyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-2-carboxamide | | Formula: | C16 H18 F3 N3 O3 S | | SMILES: | O=C(NC1(C=[N@H])CC1)C3NCC(S(=O)(=O)c2ccccc2C(F)(F)F)C3 | | InChi: | InChI=1S/C16H18F3N3O3S/c17-16(18,19)11-3-1-2-4-13(11)26(24,25)10-7-12(21-8-10)14(23)22-15(9-20)5-6-15/h1-4,9-10,12,20-21H,5-8H2,(H,22,23)/b20-9+/t10-,12+/m1/s1 | | Definition date: | 2013-06-07 | | Last modified: | 2024-09-27 | | Release date: | 2013-11-27 | | Identifier: | (4R)-N-{1-[(E)-iminomethyl]cyclopropyl}-4-{[2-(trifluoromethyl)phenyl]sulfonyl}-L-prolinamide |
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 | | 0V5 | | Name: | (2R)-2-(phosphonooxy)propanoic acid | | Formula: | C3 H7 O6 P | | SMILES: | O=P(OC(C(=O)O)C)(O)O | | InChi: | InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1 | | Definition date: | 2012-06-29 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-(phosphonooxy)propanoic acid |
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