 | | IZF | | Name: | METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE | | Formula: | C31 H34 Cl N3 O10 S2 | | SMILES: | O=C4NS(=O)(=O)C(c1ccc(cc1Cl)CC(C(=O)NCCCCCOc2cccc(O)c2C(=O)OC)NS(=O)(=O)c3ccccc3)C4 | | InChi: | InChI=1S/C31H34ClN3O10S2/c1-44-31(39)29-25(36)11-8-12-26(29)45-16-7-3-6-15-33-30(38)24(34-46(40,41)21-9-4-2-5-10-21)18-20-13-14-22(23(32)17-20)27-19-28(37)35-47(27,42)43/h2,4-5,8-14,17,24,27,34,36H,3,6-7,15-16,18-19H2,1H3,(H,33,38)(H,35,37)/t24-,27-/m0/s1 | | Definition date: | 2006-05-21 | | Last modified: | 2011-06-04 | | Identifier: | methyl 2-{[5-({3-chloro-4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]-N-(phenylsulfonyl)-L-phenylalanyl}amino)pentyl]oxy}-6-hydroxybenzoate |
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 | | 1ZT | | Name: | N-acetyl-L-cysteine | | Formula: | C5 H9 N O3 S | | SMILES: | O=C(NC(C(=O)O)CS)C | | InChi: | InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 | | Definition date: | 2008-08-27 | | Last modified: | 2010-03-29 | | Identifier: | N-acetyl-L-cysteine |
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 | | ASI | | Name: | L-ISO-ASPARTATE | | Formula: | C4 H6 N O4 | | SMILES: | [O-]C(=O)C(N)CC(=O)O | | InChi: | InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h6H/q-1 | | Definition date: | 2000-01-21 | | Last modified: | 2009-12-23 | | Identifier: | (2S)-2-amino-3-carboxypropanoate |
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 | | INT | | Name: | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-VALINYL-[PHENYL-1-HYDROXYPROP-2-YL]-AMINE | | Formula: | C25 H33 N3 O5 | | SMILES: | O=C(NC(Cc1ccccc1)CO)C(NC(=O)C(NC(=O)OCc2ccccc2)C)C(C)C | | InChi: | InChI=1/C25H33N3O5/c1-17(2)22(24(31)27-21(15-29)14-19-10-6-4-7-11-19)28-23(30)18(3)26-25(32)33-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,29H,14-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-,22-/m0/s1/f/h26-28H | | Synonyms: | TL-3-093 | | Definition date: | 1999-07-08 | | Last modified: | 2009-12-09 | | Identifier: | N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1S)-1-benzyl-2-hydroxyethyl]-L-valinamide |
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 | | IOH | | Name: | 2-PROPANOL, ISOPROPANOL | | Formula: | C3 H8 O | | SMILES: | OC(C)C | | InChi: | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | | Definition date: | 1999-07-08 | | Last modified: | 2009-10-02 | | Identifier: | propan-2-ol |
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 | | 2SP | | Name: | (1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATE | | Formula: | C39 H77 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O | | InChi: | InChI=1/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1/f/h42-43H | | Definition date: | 2003-06-27 | | Last modified: | 2009-09-09 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate |
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 | | MH1 | | Name: | 1-methyl-L-histidine | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)C | | InChi: | InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h11H | | Definition date: | 2009-02-26 | | Last modified: | 2009-08-17 | | Identifier: | 1-methyl-L-histidine |
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 | | TY3 | | Name: | 3-HYDROXY-L-TYROSINE | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)Cc1cc(O)c(O)cc1 | | InChi: | InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/f/h13H | | Definition date: | 2007-11-17 | | Last modified: | 2009-01-07 | | Identifier: | 3-hydroxy-L-tyrosine |
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 | | LTR | | Name: | L-TRYPTOPHAN | | Formula: | C11 H12 N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2 | | InChi: | InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h14H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | L-tryptophan |
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 | | NEM | | Name: | NE2-METHYLATED HISTIDINE | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)C | | InChi: | InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h11H | | Definition date: | 1999-07-19 | | Last modified: | 2009-01-07 | | Identifier: | 1-methyl-L-histidine |
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 | | PDL | | Name: | N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE | | Formula: | C11 H17 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C | | InChi: | InChI=1/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1/f/h15,17-18H | | Definition date: | 2002-03-18 | | Last modified: | 2009-01-07 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine |
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 | | PVL | | Name: | PYRUVOYL GROUP | | Formula: | C3 H4 O2 | | SMILES: | O=CC(=O)C | | InChi: | InChI=1/C3H4O2/c1-3(5)2-4/h2H,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | 2-oxopropanal |
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 | | CAY | | Name: | CARBOXYMETHYLENECYSTEINE | | Formula: | C5 H9 N O4 S | | SMILES: | O=C(O)C(N)CSCC(=O)O | | InChi: | InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/f/h7,9H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | S-(carboxymethyl)-L-cysteine |
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 | | CEA | | Name: | S-HYDROXY-CYSTEINE | | Formula: | C3 H7 N O3 S | | SMILES: | O=C(O)C(N)CSO | | InChi: | InChI=1/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H | | Synonyms: | CYSTEINE SULFENIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | S-hydroxy-L-cysteine |
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 | | BTC | | Name: | CYSTEINE | | Formula: | C3 H7 N O2 S | | SMILES: | O=C(O)C(N)CS | | InChi: | InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H | | Synonyms: | BIS-TRIS BUFFER | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | L-cysteine |
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 | | CS0 | | Name: | S-(2-HYDROXYETHYL)-L-CYSTEINE | | Formula: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CSCCO | | InChi: | InChI=1/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1/f/h8H | | Definition date: | 2008-03-25 | | Last modified: | 2009-01-07 | | Identifier: | S-(2-hydroxyethyl)-L-cysteine |
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 | | SEG | | Name: | HYDROXYALANINE | | Formula: | C3 H7 N O3 | | SMILES: | O=C(O)C(N)CO | | InChi: | InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/f/h6H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | L-serine |
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 | | CYM | | Name: | S-METHYLCYSTEINE | | Formula: | C4 H9 N O2 S | | SMILES: | O=C(O)C(N)CSC | | InChi: | InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1/f/h6H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | S-methyl-L-cysteine |
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 | | STY | | Name: | TYROSINE-O-SULPHONIC ACID | | Formula: | C9 H11 N O6 S | | SMILES: | O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)N)O | | InChi: | InChI=1/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1/f/h11,13H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | O-sulfo-L-tyrosine |
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 | | TPH | | Name: | 2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GROUP | | Formula: | C9 H13 N O2 | | SMILES: | OC(O)C(N)Cc1ccccc1 | | InChi: | InChI=1/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | (2S)-2-amino-3-phenylpropane-1,1-diol |
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 | | EHP | | Name: | 3-HYDROXYPHENYLALANINE | | Formula: | C9 H11 N O3 | | SMILES: | O=C(O)C(N)Cc1cc(O)ccc1 | | InChi: | InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h12H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | 3-hydroxy-L-phenylalanine |
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 | | GCM | | Name: | GLYCYLMETHYLENE GROUP | | Formula: | C3 H7 N O | | SMILES: | O=C(C)CN | | InChi: | InChI=1/C3H7NO/c1-3(5)2-4/h2,4H2,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | 1-aminopropan-2-one |
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 | | HAC | | Name: | BETA-CYCLOHEXYL-ALANINE | | Formula: | C9 H17 N O2 | | SMILES: | O=C(O)C(N)CC1CCCCC1 | | InChi: | InChI=1/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1/f/h11H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | 3-cyclohexyl-L-alanine |
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 | | TS3 | | Name: | BIS[[5-GLUTAMYL-CYSTEINYL-GLYCYL]-AMINOPROPYL]AMINE | | Formula: | C27 H49 N9 O10 S2 | | SMILES: | O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS | | InChi: | InChI=1/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1/f/h31-36,43,45H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid (non-preferred name) |
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 | | LLA | | Name: | L-2-HYDROXY-3-PHENYL-PROPIONIC ACID | | Formula: | C9 H10 O3 | | SMILES: | O=C(O)C(O)Cc1ccccc1 | | InChi: | InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1/f/h11H | | Definition date: | 1999-07-27 | | Last modified: | 2008-10-14 | | Identifier: | (2S)-2-hydroxy-3-phenylpropanoic acid |
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