 | | N9X | | Name: | Ertapenem | | Formula: | C22 H27 N3 O7 S | | SMILES: | C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3ccc(cc3)C(O)=O)[CH]1C)C(O)=O | | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-12(4-6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16-,17-,19-/m1/s1 | | Synonyms: | (3~{R},4~{R},5~{S})-3-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxylic acid | | Definition date: | 2022-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-08 | | Identifier: | (2~{S},3~{R},4~{R})-4-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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 | | NA3 | | Name: | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID | | Formula: | C10 H9 Br N2 O4 | | SMILES: | O=C(c1cncc(Br)c1)NC(C=O)CC(=O)O | | InChi: | InChI=1S/C10H9BrN2O4/c11-7-1-6(3-12-4-7)10(17)13-8(5-14)2-9(15)16/h1,3-5,8H,2H2,(H,13,17)(H,15,16)/t8-/m0/s1 | | Definition date: | 2003-11-07 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid |
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 | | NA4 | | Name: | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID | | Formula: | C17 H14 N2 O6 | | SMILES: | O=C(O)CC(C=O)NC(=O)c2cncc(c1ccc(C(=O)O)cc1)c2 | | InChi: | InChI=1S/C17H14N2O6/c20-9-14(6-15(21)22)19-16(23)13-5-12(7-18-8-13)10-1-3-11(4-2-10)17(24)25/h1-5,7-9,14H,6H2,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1 | | Definition date: | 2003-11-19 | | Last modified: | 2024-09-27 | | Identifier: | 4-(5-{[(1S)-2-carboxy-1-formylethyl]carbamoyl}pyridin-3-yl)benzoic acid |
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 | | 3CD | | Name: | 3-(CHLOROACETYL) PYRIDINE ADENINE DINUCLEOTIDE | | Formula: | C22 H28 Cl N6 O14 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)[n+]5cccc(c5)C(=O)CCl)[CH](O)[CH]3O | | InChi: | InChI=1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-34H,4,6-7H2,(H3-,24,25,26,35,36,37,38)/p+1/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1 | | Synonyms: | 3-CAPAD | | Definition date: | 2010-02-10 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-[3-(2-chloroethanoyl)pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate |
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 | | NA7 | | Name: | [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Formula: | C15 H24 N5 O16 P3 | | SMILES: | O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(OP(=O)(O)O)C4O | | InChi: | InChI=1S/C15H24N5O16P3/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(35-37(24,25)26)11(23)8(34-15)3-33-39(29,30)36-38(27,28)32-2-7-10(22)6(21)1-31-7/h4-8,10-12,15,21-23H,1-3H2,(H,27,28)(H,29,30)(H2,16,17,18)(H2,24,25,26)/t6-,7+,8+,10-,11+,12+,15+/m0/s1 | | Definition date: | 2006-11-15 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | NA8 | | Name: | (1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM | | Formula: | C13 H14 N O2 | | SMILES: | O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2 | | InChi: | InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/p+1/t12-/m0/s1 | | Definition date: | 2009-10-22 | | Last modified: | 2024-09-27 | | Identifier: | (1S)-1-carboxy-2-naphthalen-2-ylethanaminium |
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 | | 3CF | | Name: | 3-cyano-L-phenylalanine | | Formula: | C10 H10 N2 O2 | | SMILES: | O=C(O)C(N)Cc1cccc(C#N)c1 | | InChi: | InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2010-09-07 | | Last modified: | 2024-09-27 | | Identifier: | 3-cyano-L-phenylalanine |
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 | | NAD | | Name: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Formula: | C21 H27 N7 O14 P2 | | SMILES: | NC(=O)c1ccc[n+](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/C21H27N7O14P2/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/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
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 | | NAF | | Name: | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | | Formula: | C11 H15 F3 N O2 | | SMILES: | FC(F)(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C | | InChi: | InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium |
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 | | NAG | | Name: | 2-acetamido-2-deoxy-beta-D-glucopyranose | | Formula: | C8 H15 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 | | Synonyms: | N-acetyl-beta-D-glucosamine | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-(acetylamino)-2-deoxy-beta-D-glucopyranose |
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 | | 3CN | | Name: | 3-AMINOPROPANE | | Formula: | C3 H9 N | | SMILES: | NCCC | | InChi: | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 | | Definition date: | 1999-11-01 | | Last modified: | 2024-09-27 | | Identifier: | propan-1-amine |
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 | | NAI | | Name: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | | Formula: | C21 H29 N7 O14 P2 | | SMILES: | NC(=O)C1=CN(C=CC1)[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/C21H29N7O14P2/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/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | NADH | | Definition date: | 1999-12-13 | | Last modified: | 2024-09-27 | | Identifier: | [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | NAK | | Name: | AMINO-ACRYLATE | | Formula: | C3 H5 N O2 | | SMILES: | [O-]C(=O)C(=[NH2+])C | | InChi: | InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6) | | Synonyms: | 2-IMINIOPROPANOATE | | Definition date: | 2004-08-30 | | Last modified: | 2024-09-27 | | Identifier: | 2-iminiopropanoate |
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 | | NAL | | Name: | BETA-(2-NAPHTHYL)-ALANINE | | Formula: | C13 H13 N O2 | | SMILES: | O=C(O)C(N)Cc2ccc1c(cccc1)c2 | | InChi: | InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-(naphthalen-2-yl)propanoic acid (non-preferred name) |
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 | | 3CT | | Name: | 3-chloro-L-tyrosine | | Formula: | C9 H10 Cl N O3 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)N | | InChi: | InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 | | Definition date: | 2013-12-18 | | Last modified: | 2024-09-27 | | Release date: | 2015-08-19 | | Identifier: | 3-chloro-L-tyrosine |
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 | | 3CY | | Name: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID | | Formula: | C31 H34 N4 O9 S | | SMILES: | O=C(O)CC(C(=O)CSCc1ccccc1)NC(=O)C4N3c2c(cccc2CCC(C3=O)NC(=O)C(NC(=O)C)CC(=O)O)C4 | | InChi: | InChI=1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1 | | Definition date: | 2003-11-24 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-[({(2S,5S)-5-[(N-acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid |
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 | | NAU | | Name: | 4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID | | Formula: | C11 H21 N O9 | | SMILES: | O=C(NC(C(O)(O)CCC(=O)O)C(O)C(O)C(O)CO)C | | InChi: | InChI=1S/C11H21NO9/c1-5(14)12-10(9(19)8(18)6(15)4-13)11(20,21)3-2-7(16)17/h6,8-10,13,15,18-21H,2-4H2,1H3,(H,12,14)(H,16,17)/t6-,8-,9+,10+/m1/s1 | | Definition date: | 2000-07-14 | | Last modified: | 2024-09-27 | | Identifier: | (5S,6R,7S,8R)-5-(acetylamino)-4,4,6,7,8,9-hexahydroxynonanoic acid (non-preferred name) |
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 | | NAV | | Name: | 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID | | Formula: | C11 H19 N O8 | | SMILES: | O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C11H19NO8/c1-5(14)12-9(6(15)2-3-8(17)18)11(20)10(19)7(16)4-13/h7,9-11,13,16,19-20H,2-4H2,1H3,(H,12,14)(H,17,18)/t7-,9-,10-,11-/m1/s1 | | Definition date: | 2000-07-17 | | Last modified: | 2024-09-27 | | Identifier: | 5-(acetylamino)-2,3,5-trideoxy-D-manno-non-4-ulosonic acid |
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 | | NB2 | | Name: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | | Formula: | C33 H56 N6 O6 S | | SMILES: | CC1(C)C2C(C(=O)NC(C=N)CC3CCNC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C | | InChi: | InChI=1S/C33H56N6O6S/c1-30(2,3)25(37-29(43)38-33(13-10-9-11-14-33)19-46(44,45)31(4,5)6)28(42)39-18-22-23(32(22,7)8)24(39)27(41)36-21(17-34)16-20-12-15-35-26(20)40/h17,20-25,34H,9-16,18-19H2,1-8H3,(H,35,40)(H,36,41)(H2,37,38,43)/b34-17-/t20-,21-,22-,23-,24-,25+/m0/s1 | | Definition date: | 2022-01-10 | | Last modified: | 2024-09-27 | | Release date: | 2022-03-02 | | Identifier: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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 | | NB3 | | Name: | ~{N}-[(1-methylindazol-3-yl)methyl]propanamide | | Formula: | C12 H15 N3 O | | SMILES: | CCC(=O)NCc1nn(C)c2ccccc12 | | InChi: | InChI=1S/C12H15N3O/c1-3-12(16)13-8-10-9-6-4-5-7-11(9)15(2)14-10/h4-7H,3,8H2,1-2H3,(H,13,16) | | Synonyms: | N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor) | | Definition date: | 2022-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-28 | | Identifier: | ~{N}-[(1-methylindazol-3-yl)methyl]propanamide |
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 | | NBF | | Name: | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | | Formula: | C14 H16 B N O4 | | SMILES: | O=C(c1c2c(ccc1OCC)cccc2)NCB(O)O | | InChi: | InChI=1S/C14H16BNO4/c1-2-20-12-8-7-10-5-3-4-6-11(10)13(12)14(17)16-9-15(18)19/h3-8,18-19H,2,9H2,1H3,(H,16,17) | | Definition date: | 2003-02-24 | | Last modified: | 2024-09-27 | | Identifier: | ({[(2-ethoxynaphthalen-1-yl)carbonyl]amino}methyl)boronic acid |
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 | | NBG | | Name: | N-acetyl-beta-D-glucopyranosylamine | | Formula: | C8 H15 N O6 | | SMILES: | O=C(NC1OC(C(O)C(O)C1O)CO)C | | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1 | | Synonyms: | 1-N-ACETYL-BETA-D-GLUCOSAMINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-beta-D-glucopyranosylamine |
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 | | 3DR | | Name: | 1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE | | Formula: | C5 H11 O6 P | | SMILES: | O=P(OCC1OCCC1O)(O)O | | InChi: | InChI=1S/C5H11O6P/c6-4-1-2-10-5(4)3-11-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m0/s1 | | Synonyms: | ABASIC DIDEOXYRIBOSE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol |
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 | | 3DS | | Name: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid | | Formula: | C7 H8 O5 | | SMILES: | O=C1C=C(C(=O)O)CC(O)C1O | | InChi: | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1 | | Synonyms: | 3-dehydroshikimate | | Definition date: | 2010-05-27 | | Last modified: | 2024-09-27 | | Identifier: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid |
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 | | NBL | | Name: | N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE | | Formula: | C19 H26 N4 O3 | | SMILES: | N#CN2CCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C2 | | InChi: | InChI=1S/C19H26N4O3/c1-14(2)10-17(18(24)21-16-8-9-23(11-16)13-20)22-19(25)26-12-15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m1/s1 | | Definition date: | 2005-01-31 | | Last modified: | 2024-09-27 | | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-[(3R)-1-cyanopyrrolidin-3-yl]-L-leucinamide |
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