 | | TQW | | Name: | 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde | | Formula: | C17 H17 N O4 S | | SMILES: | COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3 | | Definition date: | 2021-01-13 | | Last modified: | 2024-09-27 | | Release date: | 2021-06-16 | | Identifier: | 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
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 | | TQZ | | Name: | 2-AMINO-3-PENTASULFANYLPROPAN-1-OL | | Formula: | C3 H7 N O2 S5 | | SMILES: | O=C(O)C(N)CSSSSS | | InChi: | InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | | Definition date: | 2013-04-23 | | Last modified: | 2024-09-27 | | Release date: | 2013-11-27 | | Identifier: | 3-pentasulfanyl-L-alanine |
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 | | 2MR | | Name: | N3, N4-DIMETHYLARGININE | | Formula: | C8 H18 N4 O2 | | SMILES: | O=C(O)C(N)CCCNC(=N/C)NC | | InChi: | InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1 | | Definition date: | 2000-11-03 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-(N,N'-dimethylcarbamimidoyl)-L-ornithine |
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 | | 2MT | | Name: | (4R)-2,2-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID | | Formula: | C6 H11 N O2 S | | SMILES: | O=C(O)C1NC(SC1)(C)C | | InChi: | InChI=1S/C6H11NO2S/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1 | | Synonyms: | 2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID | | Definition date: | 2004-02-16 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | 2N2 | | Name: | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid | | Formula: | C27 H26 N2 O7 S | | SMILES: | O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4 | | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | | Definition date: | 2013-12-05 | | Last modified: | 2024-09-27 | | Release date: | 2014-02-26 | | Identifier: | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid |
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 | | TR8 | | Name: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-) | | Formula: | C32 H52 B N4 O10 | | SMILES: | O=C(NC([B-](O)(O)O)CCO)C3N2C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC4C1CN(C(=O)OC(C2)C3)C4)C(C)(C)C | | InChi: | InChI=1S/C32H52BN4O10/c1-31(2,3)26-28(40)37-17-22(15-24(37)27(39)34-25(12-14-38)33(43,44)45)47-30(42)36-16-21-11-8-10-20(23(21)18-36)9-6-7-13-32(4,5)19-46-29(41)35-26/h8,10-11,21-26,38,43-45H,6-7,9,12-19H2,1-5H3,(H,34,39)(H,35,41)/q-1 | | Definition date: | 2010-08-02 | | Last modified: | 2024-09-27 | | Identifier: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-) |
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 | | TR9 | | Name: | (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione | | Formula: | C7 H8 O4 | | SMILES: | O=C1C(O)=C(C(=O)C(O)C1)C | | InChi: | InChI=1S/C7H8O4/c1-3-6(10)4(8)2-5(9)7(3)11/h4,8,11H,2H2,1H3/t4-/m0/s1 | | Definition date: | 2011-02-17 | | Last modified: | 2024-09-27 | | Identifier: | (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione |
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 | | TRF | | Name: | N1-FORMYL-TRYPTOPHAN | | Formula: | C12 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1n(c2)C=O | | InChi: | InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1-formyl-L-tryptophan |
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 | | 2NF | | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]
[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1yl)- 3-fluoro-,4- hydroxyoxolan-2-yl]methyl phosphate | | Formula: | C21 H26 F N7 O13 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]2F | | InChi: | InChI=1S/C21H26FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H5-,23,24,25,26,33,34,35,36,37)/t10-,11-,12-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | nicotinamide 2'-deoxy-2'-fluororibofuranosyl adenine dinucleotide | | Definition date: | 2009-03-27 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3R,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-fluoro-3-hydroxy-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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 | | TRL | | Name: | {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Formula: | C19 H35 N3 O6 S | | SMILES: | O=C(N1CCC(NS(=O)(=O)C)C1C(C=O)CC)C(NC(=O)OC(C)(C)C)C(C)C | | InChi: | InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1 | | Synonyms: | GW472467X | | Definition date: | 2002-11-01 | | Last modified: | 2024-09-27 | | Identifier: | tert-butyl [(1S)-1-({(2R,3S)-2-[(1S)-1-formylpropyl]-3-[(methylsulfonyl)amino]pyrrolidin-1-yl}carbonyl)-2-methylpropyl]carbamate |
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 | | TRM | | Name: | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | | Formula: | C8 H6 N2 O2 | | SMILES: | O=C(O)c2nc1ccccc1n2 | | InChi: | InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12) | | Definition date: | 2000-09-12 | | Last modified: | 2024-09-27 | | Identifier: | 1H-benzimidazole-2-carboxylic acid |
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 | | TRN | | Name: | NZ2-TRYPTOPHAN | | Formula: | C10 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc2c1cccnc1nc2 | | InChi: | InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine |
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 | | TRO | | Name: | 2-HYDROXY-TRYPTOPHAN | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2O | | InChi: | InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-hydroxy-L-tryptophan |
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 | | TRQ | | Name: | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID | | Formula: | C11 H10 N2 O4 | | SMILES: | O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2 | | InChi: | InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine |
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 | | 2NO | | Name: | NITROGEN DIOXIDE | | Formula: | N O2 | | SMILES: | ON=O | | InChi: | InChI=1S/HNO2/c2-1-3/h(H,2,3) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | nitrous acid |
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 | | TRW | | Name: | TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL | | Formula: | C17 H18 N4 O2 | | SMILES: | O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3ccccc3 | | InChi: | InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1 | | Synonyms: | PHENYLHYDRAZINE ADDUCT | | Definition date: | 2002-08-19 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazino)-1H-indol-3-yl]propanal |
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 | | TRX | | Name: | 6-HYDROXYTRYPTOPHAN | | Formula: | C11 H12 N2 O3 | | SMILES: | O=C(O)C(N)Cc2c1ccc(O)cc1nc2 | | InChi: | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 | | Definition date: | 2001-10-29 | | Last modified: | 2024-09-27 | | Identifier: | 6-hydroxy-L-tryptophan |
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 | | TS5 | | Name: | GLUTATHIONYLSPERMIDINE | | Formula: | C17 H34 N6 O5 S | | SMILES: | O=C(NCC(=O)NCCCNCCCCN)C(NC(=O)CCC(C(=O)O)N)CS | | InChi: | InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1 | | Definition date: | 2001-02-28 | | Last modified: | 2024-09-27 | | Identifier: | L-gamma-glutamyl-L-cysteinyl-N-{3-[(4-aminobutyl)amino]propyl}glycinamide |
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 | | TS9 | | Name: | (2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid | | Formula: | C6 H13 N O4 | | SMILES: | O=C(O)C(N)C(O)(C)C(O)C | | InChi: | InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1 | | Definition date: | 2008-03-11 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid (non-preferred name) |
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 | | B1S | | Name: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | | Formula: | C21 H31 N3 O8 S | | SMILES: | C(c1ccccc1)OC(=O)NC(C(=O)NC(C(S(=O)(=O)O)O)CC2CCNC2=O)CC(C)C | | InChi: | InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20+/m0/s1 | | Definition date: | 2017-07-31 | | Last modified: | 2024-09-27 | | Release date: | 2018-04-04 | | Identifier: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | | TSL | | Name: | TRANS-ENAMINE INTERMEDIATE OF SULBACTAM | | Formula: | C8 H13 N O5 S | | SMILES: | O=S(O)C(C(NC=CC=O)C(=O)O)(C)C | | InChi: | InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1 | | Definition date: | 2005-07-28 | | Last modified: | 2024-09-27 | | Identifier: | N-[(1E)-3-oxoprop-1-en-1-yl]-3-sulfino-D-valine |
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 | | TSQ | | Name: | 4-(trimethylsilyl)-L-phenylalanine | | Formula: | C12 H19 N O2 Si | | SMILES: | c1cc(CC(C(O)=O)N)ccc1[Si](C)(C)C | | InChi: | InChI=1S/C12H19NO2Si/c1-16(2,3)10-6-4-9(5-7-10)8-11(13)12(14)15/h4-7,11H,8,13H2,1-3H3,(H,14,15)/t11-/m0/s1 | | Definition date: | 2019-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-09 | | Identifier: | 4-(trimethylsilyl)-L-phenylalanine |
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 | | B27 | | Name: | (2R,3S) 3-amino-4-mercapto-2-butanol | | Formula: | C4 H11 N O S | | SMILES: | OC(C)C(N)CS | | InChi: | InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1 | | Synonyms: | (2R,3S)-3-amino-4-sulfanylbutan-2-ol | | Definition date: | 2009-05-20 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3S)-3-amino-4-sulfanylbutan-2-ol |
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 | | TSR | | Name: | 2-(1H-INDOL-3-YL)ACETAMIDE | | Formula: | C10 H10 N2 O | | SMILES: | O=C(N)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) | | Definition date: | 2005-08-09 | | Last modified: | 2024-09-27 | | Identifier: | 2-(1H-indol-3-yl)acetamide |
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 | | TSS | | Name: | 2-(1H-INDOL-3-YL)ETHANAMINE | | Formula: | C10 H12 N2 | | SMILES: | c1cccc2c1c(cn2)CCN | | InChi: | InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | | Synonyms: | TRYPTAMINE | | Definition date: | 2005-08-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-(1H-indol-3-yl)ethanamine |
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