 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | HAP | | Name: | (N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYLALANYL)METHYL AMINE | | Formula: | C18 H27 N3 O4 | | SMILES: | O=C(NO)CC(C(=O)NC(C(=O)NC)Cc1ccccc1)CC(C)C | | InChi: | InChI=1/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1/f/h19-21H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (2R)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)butanediamide |
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 | | SAA | | Name: | (S)-ATROLACTIC ACID | | Formula: | C9 H10 O3 | | SMILES: | O=C(O)C(O)(c1ccccc1)C | | InChi: | InChI=1/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)/t9-/m0/s1/f/h10H | | Synonyms: | (S)-2-HYDROXY-2-PHENYLPROPIONIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (2S)-2-hydroxy-2-phenylpropanoic acid |
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 | | GDB | | Name: | 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE | | Formula: | C16 H19 N5 O10 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1N(=O)=O)N(=O)=O | | InChi: | InChI=1/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1/f/h18-19,23,26H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine |
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 | | TMN | | Name: | TRIS(HYDROXYMETHYL)AMINOMETHANE | | Formula: | C4 H11 N O3 | | SMILES: | OCC(N)(CO)CO | | InChi: | InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2 | | Definition date: | 2001-07-20 | | Last modified: | 2008-10-14 | | Identifier: | 2-amino-2-(hydroxymethyl)propane-1,3-diol |
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 | | GLI | | Name: | ALA-ALA-PHE-PSI((S)-CHOH-CH2)-GLY-VAL-VAL-OME | | Formula: | C29 H47 N5 O7 | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C | | InChi: | InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1/f/h31-34H | | Synonyms: | SKF 107457 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate |
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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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 | | 450 | | Name: | {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([3-AMINO)PHENYL]METHYL-4,7-BIA(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | | Formula: | C33 H38 N4 O3 | | SMILES: | OC2C(N(Cc1cccc(N)c1)C(O)N(C(C2O)Cc3ccccc3)Cc4cccc(N)c4)Cc5ccccc5 | | InChi: | InChI=1/C33H38N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-33,38-40H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1 | | Synonyms: | DMP450 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol |
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 | | FCY | | Name: | FREE 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 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | L-cysteine |
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 | | 1NI | | Name: | 4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE | | Formula: | C45 H58 N6 O7 | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c3ccccc3ccc4 | | InChi: | InChI=1/C45H58N6O7/c1-7-35(43(56)50-37(42(46)55)23-31-18-12-16-29-14-8-10-20-33(29)31)48-40(54)25-39(53)36(22-26(2)3)49-45(58)41(27(4)5)51-44(57)38(47-28(6)52)24-32-19-13-17-30-15-9-11-21-34(30)32/h8-21,26-27,35-39,41,53H,7,22-25H2,1-6H3,(H2,46,55)(H,47,52)(H,48,54)(H,49,58)(H,50,56)(H,51,57)/t35-,36-,37-,38-,39-,41-/m0/s1/f/h47-51H,46H2 | | Synonyms: | LP-130 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (4S,7S,10S,11S,15S,18S)-15-ethyl-11-hydroxy-7-(1-methylethyl)-10-(2-methylpropyl)-4,18-bis(naphthalen-1-ylmethyl)-2,5,8,13,16-pentaoxo-3,6,9,14,17-pentaazanonadecan-19-amide (non-preferred name) |
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