 | | HFV | | Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE | | Formula: | C14 H19 F6 N3 O6 S | | SMILES: | O=C(NC(C(=O)O)C(C(F)(F)F)C(F)(F)F)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H19F6N3O6S/c15-13(16,17)9(14(18,19)20)8(12(28)29)23-10(25)6(4-30)22-7(24)3-1-2-5(21)11(26)27/h5-6,8-9,30H,1-4,21H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/t5-,6-,8-/m0/s1 | | Definition date: | 2005-06-09 | | Last modified: | 2011-06-04 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-4,4,4,4',4',4'-hexafluoro-L-valine |
|
 | | HGS | | Name: | D-gamma-glutamyl-L-cysteinyl-beta-alanine | | Formula: | C11 H19 N3 O6 S | | SMILES: | N[CH](CCC(=O)N[CH](CS)C(=O)NCCC(O)=O)C(O)=O | | InChi: | InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7+/m1/s1 | | Definition date: | 2009-11-17 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-azanyl-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid |
|
 | | S2C | | Name: | S-2-(BORONOETHYL)-L-CYSTEINE | | Formula: | C5 H13 B N O5 S | | SMILES: | O=C(O)C(N)CSCC[B-](O)(O)O | | InChi: | InChI=1S/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10,11)12/h4,10-12H,1-3,7H2,(H,8,9)/q-1/t4-/m0/s1 | | Definition date: | 2000-12-18 | | Last modified: | 2011-06-04 | | Identifier: | (2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}ethyl)(trihydroxy)borate(1-) |
|
 | | SAI | | Name: | S-ADENOSYL-L-HOMOSELENOCYSTEINE | | Formula: | C14 H20 N6 O5 Se | | SMILES: | O=C(O)C(N)CC[Se]CC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 | | Definition date: | 2001-05-16 | | Last modified: | 2011-06-04 | | Identifier: | 5'-Se-[(3S)-3-amino-3-carboxypropyl]-5'-selenoadenosine |
|
 | | SDC | | Name: | S-[2-(AMINOSULFONYL)ETHYL]-D-CYSTEINE | | Formula: | C5 H12 N2 O4 S2 | | SMILES: | O=S(=O)(N)CCSCC(N)C(=O)O | | InChi: | InChI=1S/C5H12N2O4S2/c6-4(5(8)9)3-12-1-2-13(7,10)11/h4H,1-3,6H2,(H,8,9)(H2,7,10,11)/t4-/m0/s1 | | Definition date: | 2003-10-08 | | Last modified: | 2011-06-04 | | Identifier: | S-(2-sulfamoylethyl)-L-cysteine |
|
 | | SHC | | Name: | S-HEXYLCYSTEINE | | Formula: | C9 H19 N O2 S | | SMILES: | O=C(O)C(N)CSCCCCCC | | InChi: | InChI=1S/C9H19NO2S/c1-2-3-4-5-6-13-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | S-hexyl-L-cysteine |
|
 | | OPT | | Name: | S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide | | Formula: | C47 H55 N7 O5 S | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc2ccc(O)cc2)CCCNC(N)N)CSCc3ccccc3)Cc5ccc(c4ccccc4)cc5 | | InChi: | InChI=1S/C47H55N7O5S/c48-47(49)51-27-10-17-40(45(58)54-41(29-34-20-24-39(55)25-21-34)44(57)50-28-26-33-11-4-1-5-12-33)53-46(59)42(32-60-31-36-13-6-2-7-14-36)52-43(56)30-35-18-22-38(23-19-35)37-15-8-3-9-16-37/h1-9,11-16,18-25,40-42,47,51,55H,10,17,26-32,48-49H2,(H,50,57)(H,52,56)(H,53,59)(H,54,58)/t40-,41+,42+/m1/s1 | | Definition date: | 2007-11-13 | | Last modified: | 2011-06-04 | | Identifier: | S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide |
|
 | | RGS | | Name: | 4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDE | | Formula: | C20 H32 N6 O12 S2 | | SMILES: | O=C(NC(C(=O)NCCC(C(=O)O)N)CSSCC(C(=O)NCCC(C(=O)O)N)NC(=O)CC(=O)O)CC(=O)O | | InChi: | InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-23-17(33)11(25-13(27)5-15(29)30)7-39-40-8-12(26-14(28)6-16(31)32)18(34)24-4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11+,12+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S,2'S)-4,4'-[disulfanediylbis({(2S)-2-[(carboxyacetyl)amino]-1-oxopropane-3,1-diyl}imino)]bis(2-aminobutanoic acid) (non-preferred name) |
|
 | | TGG | | Name: | GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE | | Formula: | C14 H21 N3 O10 S | | SMILES: | O=C(O)C(SCC(NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C14H21N3O10S/c15-6(13(24)25)1-2-9(18)17-7(12(23)16-4-11(21)22)5-28-8(14(26)27)3-10(19)20/h6-8H,1-5,15H2,(H,16,23)(H,17,18)(H,19,20)(H,21,22)(H,24,25)(H,26,27)/t6-,7-,8+/m0/s1 | | Definition date: | 2003-09-08 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-[(1R)-1,2-dicarboxyethyl]-L-cysteinylglycine |
|
 | | TNB | | Name: | S-(2,3,6-TRINITROPHENYL)CYSTEINE | | Formula: | C9 H8 N4 O8 S | | SMILES: | [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O | | InChi: | InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | S-(2,4,6-trinitrophenyl)-L-cysteine |
|
 | | 5CA | | Name: | 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE | | Formula: | C13 H19 N7 O7 S2 | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CS | | InChi: | InChI=1S/C13H19N7O7S2/c14-5(2-28)12(23)19-29(24,25)26-1-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22,28H,1-2,14H2,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 | | Definition date: | 2003-01-07 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-(L-cysteinylsulfamoyl)adenosine |
|
 | | L9X | | Name: | L-gamma-glutamyl-S-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-L-cysteinylglycine | | Formula: | C16 H24 N4 O8 S | | SMILES: | CCN1C(=O)C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C1=O | | InChi: | InChI=1S/C16H24N4O8S/c1-2-20-12(22)5-10(15(20)26)29-7-9(14(25)18-6-13(23)24)19-11(21)4-3-8(17)16(27)28/h8-10H,2-7,17H2,1H3,(H,18,25)(H,19,21)(H,23,24)(H,27,28)/t8-,9-,10+/m0/s1 | | Definition date: | 2010-01-18 | | Last modified: | 2011-06-04 | | Identifier: | 2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(3R)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
|
 | | M80 | | Name: | 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID | | Formula: | C26 H26 N2 O5 | | SMILES: | O=C(O)CCc1ccc(cc1)NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C26H26N2O5/c29-24(30)16-13-19-11-14-22(15-12-19)27-25(31)23(17-20-7-3-1-4-8-20)28-26(32)33-18-21-9-5-2-6-10-21/h1-12,14-15,23H,13,16-18H2,(H,27,31)(H,28,32)(H,29,30)/t23-/m0/s1 | | Definition date: | 2010-03-31 | | Last modified: | 2011-06-04 | | Identifier: | 3-[4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)phenyl]propanoic acid |
|
 | | 2CV | | Name: | HEGA-10 | | Formula: | C18 H37 N O7 | | SMILES: | CCCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O)[CH](O)CO | | InChi: | InChI=1S/C18H37NO7/c1-2-3-4-5-6-7-8-9-16(24)19(10-11-20)12-14(22)17(25)18(26)15(23)13-21/h14-15,17-18,20-23,25-26H,2-13H2,1H3/t14-,15+,17-,18+/m1/s1 | | Definition date: | 2010-11-30 | | Last modified: | 2011-06-04 | | Identifier: | N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]decanamide |
|
 | | TR1 | | Name: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | | Formula: | C24 H31 N3 O4 S | | SMILES: | O=C(OC)C(NC(=O)CNC(=O)C(NCc1ccc(cc1)c2ccccc2)CS)C(C)C | | InChi: | InChI=1S/C24H31N3O4S/c1-16(2)22(24(30)31-3)27-21(28)14-26-23(29)20(15-32)25-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20,22,25,32H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,22-/m0/s1 | | Definition date: | 1999-08-03 | | Last modified: | 2011-06-04 | | Identifier: | methyl N-(biphenyl-4-ylmethyl)-L-cysteinylglycyl-L-valinate |
|
 | | 2NH | | Name: | N-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-L-ISOLEUCYL-L-METHIONINE | | Formula: | C36 H62 N4 O6 S2 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCSC)C(C)CC)C(C)C)CSCC=C(/C)CCC=C(/C)CCC=C(/C)C)C | | InChi: | InChI=1S/C36H62N4O6S2/c1-11-27(8)32(35(44)38-29(36(45)46)19-20-47-10)40-34(43)31(24(4)5)39-33(42)30(37-28(9)41)22-48-21-18-26(7)17-13-16-25(6)15-12-14-23(2)3/h14,16,18,24,27,29-32H,11-13,15,17,19-22H2,1-10H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)(H,45,46)/b25-16+,26-18+/t27-,29-,30-,31-,32-/m0/s1 | | Definition date: | 2003-04-25 | | Last modified: | 2011-06-04 | | Identifier: | N-acetyl-S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-L-cysteinyl-L-valyl-L-isoleucyl-L-methionine |
|
 | | BCV | | Name: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE | | Formula: | C14 H23 N3 O6 S | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)C1CC1 | | InChi: | InChI=1S/C14H23N3O6S/c15-8(13(20)21)2-1-3-10(18)16-9(6-24)12(19)17-11(14(22)23)7-4-5-7/h7-9,11,24H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1 | | Definition date: | 2006-06-13 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-[(1R)-2-{[(R)-carboxy(cyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
|
 | | W05 | | Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-ALANINE | | Formula: | C12 H21 N3 O6 S | | SMILES: | O=C(NC(C(=O)O)C)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C12H21N3O6S/c1-6(11(18)19)14-10(17)8(5-22)15-9(16)4-2-3-7(13)12(20)21/h6-8,22H,2-5,13H2,1H3,(H,14,17)(H,15,16)(H,18,19)(H,20,21)/t6-,7+,8+/m1/s1 | | Definition date: | 2004-06-01 | | Last modified: | 2011-06-04 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-alanine |
|
 | | IBG | | Name: | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | | Formula: | C17 H22 I N3 O6 S | | SMILES: | Ic1ccccc1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N | | InChi: | InChI=1S/C17H22IN3O6S/c18-11-4-2-1-3-10(11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1 | | Definition date: | 2002-08-06 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-(2-iodobenzyl)-L-cysteinylglycine |
|
 | | ABY | | Name: | N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE | | Formula: | C17 H25 N3 O5 S | | SMILES: | O=C(O)CNC(=O)C(NC(=O)CCCN)CSCc1ccc(OC)cc1 | | InChi: | InChI=1S/C17H25N3O5S/c1-25-13-6-4-12(5-7-13)10-26-11-14(17(24)19-9-16(22)23)20-15(21)3-2-8-18/h4-7,14H,2-3,8-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)/t14-/m0/s1 | | Definition date: | 2003-06-09 | | Last modified: | 2011-06-04 | | Identifier: | N-(4-aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine |
|
 | | ACC | | Name: | N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE | | Formula: | C13 H24 N3 O6 S2 | | SMILES: | O=C(O)C(NC(=O)C(NC(=O)CCCC(C(=O)O)[NH3+])CS)CSC | | InChi: | InChI=1S/C13H23N3O6S2/c1-24-6-9(13(21)22)16-11(18)8(5-23)15-10(17)4-2-3-7(14)12(19)20/h7-9,23H,2-6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/p+1/t7-,8-,9+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(5S)-5-ammonio-5-carboxypentanoyl]-L-cysteinyl-S-methyl-D-cysteine |
|
 | | ACV | | Name: | L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE | | Formula: | C14 H25 N3 O6 S | | SMILES: | O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine |
|
 | | ACW | | Name: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE | | Formula: | C15 H25 N3 O6 S | | SMILES: | O=C(NC(C(=O)O)C1(C)CC1)C(NC(=O)CCCC(C(=O)O)N)CS | | InChi: | InChI=1S/C15H25N3O6S/c1-15(5-6-15)11(14(23)24)18-12(20)9(7-25)17-10(19)4-2-3-8(16)13(21)22/h8-9,11,25H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,11-/m0/s1 | | Definition date: | 2006-06-13 | | Last modified: | 2011-06-04 | | Identifier: | N~6~-[(1R)-2-{[(R)-carboxy(1-methylcyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
|
 | | AIF | | Name: | [(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate | | Formula: | C9 H15 N4 O9 P | | SMILES: | O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N | | InChi: | InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4-,6+/m1/s1 | | Definition date: | 2008-10-22 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name) |
|
 | | BYG | | Name: | L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine | | Formula: | C22 H32 N6 O10 S2 | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC1(SCCCCCCO)c2nonc2C(=CC1)[N+]([O-])=O | | InChi: | InChI=1S/C22H32N6O10S2/c23-13(21(34)35)5-6-16(30)25-14(20(33)24-11-17(31)32)12-40-22(39-10-4-2-1-3-9-29)8-7-15(28(36)37)18-19(22)27-38-26-18/h7,13-14,29H,1-6,8-12,23H2,(H,24,33)(H,25,30)(H,31,32)(H,34,35)/t13-,14-,22+/m0/s1 | | Definition date: | 2009-04-08 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-{(4R)-4-[(6-hydroxyhexyl)sulfanyl]-7-nitro-4,5-dihydro-2,1,3-benzoxadiazol-4-yl}-L-cysteinylglycine |
|
