 | | TH5 | | Name: | O-acetyl-L-threonine | | Formula: | C6 H11 N O4 | | SMILES: | O=C(OC(C(N)C(=O)O)C)C | | InChi: | InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1 | | Definition date: | 2008-08-01 | | Last modified: | 2024-09-27 | | Identifier: | O-acetyl-L-threonine |
|
 | | TH6 | | Name: | 4-HYDROXY-L-THREONINE | | Formula: | C4 H9 N O4 | | SMILES: | O=C(O)C(N)C(O)CO | | InChi: | InChI=1S/C4H9NO4/c5-3(4(8)9)2(7)1-6/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3+/m1/s1 | | Definition date: | 2009-10-22 | | Last modified: | 2024-09-27 | | Identifier: | 4-hydroxy-L-threonine |
|
 | | THC | | Name: | N-METHYLCARBONYLTHREONINE | | Formula: | C6 H11 N O4 | | SMILES: | O=C(O)C(NC(=O)C)C(O)C | | InChi: | InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/t3-,5+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | N-acetyl-L-threonine |
|
 | | THO | | Name: | REDUCED THREONINE | | Formula: | C4 H11 N O2 | | SMILES: | OCC(N)C(O)C | | InChi: | InChI=1S/C4H11NO2/c1-3(7)4(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3R)-2-aminobutane-1,3-diol |
|
 | | THZ | | Name: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine | | Formula: | C13 H17 N5 O S | | SMILES: | O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine |
|
 | | TIG | | Name: | N-(2-aminoethyl)-L-tryptophan | | Formula: | C13 H17 N3 O2 | | SMILES: | O=C(O)C(NCCN)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C13H17N3O2/c14-5-6-15-12(13(17)18)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,15-16H,5-7,14H2,(H,17,18)/t12-/m0/s1 | | Definition date: | 2010-10-14 | | Last modified: | 2024-09-27 | | Identifier: | N-(2-aminoethyl)-L-tryptophan |
|
 | | TIS | | Name: | O-(1,1-dihydroxyethyl)-L-serine | | Formula: | C5 H11 N O5 | | SMILES: | O=C(O)C(N)COC(O)(O)C | | InChi: | InChI=1S/C5H11NO5/c1-5(9,10)11-2-3(6)4(7)8/h3,9-10H,2,6H2,1H3,(H,7,8)/t3-/m0/s1 | | Definition date: | 2009-01-28 | | Last modified: | 2024-09-27 | | Identifier: | O-(1,1-dihydroxyethyl)-L-serine |
|
 | | TLA | | Name: | L(+)-TARTARIC ACID | | Formula: | C4 H6 O6 | | SMILES: | O=C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 | | Definition date: | 2002-01-22 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3R)-2,3-dihydroxybutanedioic acid |
|
 | | TLY | | Name: | (2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid | | Formula: | C8 H16 N2 O2 S | | SMILES: | O=C(O)C(N)CCCCNC(=S)C | | InChi: | InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1 | | Synonyms: | 6-N-thiolacetyl-L-lysine | | Definition date: | 2010-03-04 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-ethanethioyl-L-lysine |
|
 | | TMD | | Name: | (6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE | | Formula: | C10 H21 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(CCCC)C | | InChi: | InChI=1S/C10H21NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-butyl-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid |
|
 | | TOQ | | Name: | 6,7-dihydroxy-L-tryptophan | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2 | | InChi: | InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1 | | Definition date: | 2011-07-22 | | Last modified: | 2024-09-27 | | Identifier: | 6,7-dihydroxy-L-tryptophan |
|
 | | TPO | | Name: | PHOSPHOTHREONINE | | Formula: | C4 H10 N O6 P | | SMILES: | O=P(O)(O)OC(C(N)C(=O)O)C | | InChi: | InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | | Synonyms: | PHOSPHONOTHREONINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | O-phosphono-L-threonine |
|
 | | TPX | | Name: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | | Formula: | C14 H19 N O5 S | | SMILES: | O=S(=O)(c1ccc(cc1)C)NCC(C(=O)O)C(C=O)CC | | InChi: | InChI=1S/C14H19NO5S/c1-3-11(9-16)13(14(17)18)8-15-21(19,20)12-6-4-10(2)5-7-12/h4-7,9,11,13,15H,3,8H2,1-2H3,(H,17,18)/t11-,13-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-3-formyl-2-({[(4-methylphenyl)sulfonyl]amino}methyl)pentanoic acid |
|
 | | TPY | | Name: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | | Formula: | C13 H16 N2 O7 S | | SMILES: | O=S(=O)(NCC(C(=O)O)C(C=O)CC)c1ccc([N+]([O-])=O)cc1 | | InChi: | InChI=1S/C13H16N2O7S/c1-2-9(8-16)12(13(17)18)7-14-23(21,22)11-5-3-10(4-6-11)15(19)20/h3-6,8-9,12,14H,2,7H2,1H3,(H,17,18)/t9-,12-/m1/s1 | | Definition date: | 2000-06-09 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid |
|
 | | SL1 | | Name: | N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-BENZODIAZEPIN-1-YL}ACETAMIDE | | Formula: | C30 H33 N7 O5 S | | SMILES: | O=CC(NC(=O)CN1C(=O)C(N=C(c2ccccc12)c3ccccc3)NS(=O)(=O)Cc4ccccc4)CCCNC(=[N@H])N | | InChi: | InChI=1S/C30H33N7O5S/c31-30(32)33-17-9-14-23(19-38)34-26(39)18-37-25-16-8-7-15-24(25)27(22-12-5-2-6-13-22)35-28(29(37)40)36-43(41,42)20-21-10-3-1-4-11-21/h1-8,10-13,15-16,19,23,28,36H,9,14,17-18,20H2,(H,34,39)(H4,31,32,33)/t23-,28+/m0/s1 | | Definition date: | 2004-06-15 | | Last modified: | 2024-09-27 | | Identifier: | 2-{(3R)-3-[(benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(1S)-4-carbamimidamido-1-formylbutyl]acetamide |
|
 | | SL5 | | Name: | (2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid | | Formula: | C8 H15 N O5 | | SMILES: | O=C(O)C1NC(OC1C)COCCO | | InChi: | InChI=1S/C8H15NO4.H2O/c1-3-12-4-6-9-7(8(10)11)5(2)13-6 | | Definition date: | 2012-06-06 | | Last modified: | 2024-09-27 | | Release date: | 2013-06-26 | | Identifier: | (2S,4S,5R)-2-[(2-hydroxyethoxy)methyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid |
|
 | | SLL | | Name: | (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid | | Formula: | C10 H18 N2 O5 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCC(=O)O | | InChi: | InChI=1S/C10H18N2O5/c11-7(10(16)17)3-1-2-6-12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | 6-N-succinyl-L-lysine | | Definition date: | 2010-03-04 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-(3-carboxypropanoyl)-L-lysine |
|
 | | SSH | | Name: | 3-DEOXY-D-ARABINO-HEXONIC ACID | | Formula: | C6 H12 O6 | | SMILES: | O=C(O)C(O)CC(O)C(O)CO | | InChi: | InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1 | | Synonyms: | D-2-KETO-3-DEOXYGLUCONATE | | Definition date: | 2004-07-17 | | Last modified: | 2024-09-27 | | Identifier: | 3-deoxy-D-arabino-hexonic acid |
|
 | | SUJ | | Name: | (2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID | | Formula: | C9 H16 N2 O5 | | SMILES: | O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C | | InChi: | InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1 | | Definition date: | 2003-07-31 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid |
|
 | | SV6 | | Name: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide | | Formula: | C36 H55 N7 O6 | | SMILES: | O=C(NC1CC1)C(O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)c2nccnc2)C3CCCCC3)C(C)(C)C)CC5CCCC45)CCC | | InChi: | InChI=1S/C36H55N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-30,44H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,29+,30+/m0/s1 | | Synonyms: | TELAPREVIR, bound form | | Definition date: | 2011-08-08 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-31 | | Identifier: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide (non-preferred name) |
|
 | | SXE | | Name: | O-{(S)-ETHOXY[(1-METHYLETHYL)AMINO]PHOSPHORYL}-L-SERINE | | Formula: | C8 H19 N2 O5 P | | SMILES: | O=P(OCC)(OCC(N)C(=O)O)NC(C)C | | InChi: | InChI=1S/C8H19N2O5P/c1-4-14-16(13,10-6(2)3)15-5-7(9)8(11)12/h6-7H,4-5,9H2,1-3H3,(H,10,13)(H,11,12)/t7-,16-/m0/s1 | | Definition date: | 2007-02-13 | | Last modified: | 2024-09-27 | | Identifier: | O-{(S)-ethoxy[(1-methylethyl)amino]phosphoryl}-L-serine |
|
 | | 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 |
|
 | | 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 |
|
 | | M2L | | Name: | (2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid | | Formula: | C7 H16 N2 O2 S | | SMILES: | O=C(O)C(N)CSCCN(C)C | | InChi: | InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1 | | Definition date: | 2008-04-09 | | Last modified: | 2024-09-27 | | Identifier: | S-[2-(dimethylamino)ethyl]-L-cysteine |
|
 | | 3EG | | Name: | (2S)-2-amino-4,4,4-trifluorobutanoic acid | | Formula: | C4 H6 F3 N O2 | | SMILES: | FC(F)(F)CC(N)C(=O)O | | InChi: | InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)/t2-/m0/s1 | | Definition date: | 2011-10-13 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2-amino-4,4,4-trifluorobutanoic acid |
|
