 | | ESG | | Name: | L-gamma-glutamyl-S-[(3S)-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-[(3S)-1-ethyl-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
|
 | | F3F | | Name: | S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE | | Formula: | C16 H8 F3 N3 O2 S | | SMILES: | FC(F)(F)c3nnc(SC(=O)c2oc(C#Cc1ccccc1)cc2)n3 | | InChi: | InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22) | | Definition date: | 2006-05-16 | | Last modified: | 2011-06-04 | | Identifier: | S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate |
|
 | | 53A | | Name: | ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate | | Formula: | C18 H20 N4 O5 S | | SMILES: | O=C(C)C(SC1=NC=3N(c2c1cccc2)NNC=3C(=O)OCC)C(=O)OCC | | InChi: | InChI=1S/C18H20N4O5S/c1-4-26-17(24)13-15-19-16(28-14(10(3)23)18(25)27-5-2)11-8-6-7-9-12(11)22(15)21-20-13/h6-9,14,20-21H,4-5H2,1-3H3/t14-/m1/s1 | | Definition date: | 2009-03-27 | | Last modified: | 2011-06-04 | | Identifier: | ethyl 5-{[(1R)-1-(ethoxycarbonyl)-2-oxopropyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate |
|
 | | MSN | | Name: | (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL | | Formula: | C6 H13 N O3 S | | SMILES: | OC1C(O)C(N)C(SC)C1O | | InChi: | InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1 | | Definition date: | 2005-12-28 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2R,3R,4S,5R)-4-amino-5-(methylsulfanyl)cyclopentane-1,2,3-triol |
|
 | | MSQ | | Name: | 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE | | Formula: | C17 H17 N3 O2 S | | SMILES: | n2c1c(cc(OC)c(OC)c1)c(nc2)Nc3cccc(SC)c3 | | InChi: | InChI=1S/C17H17N3O2S/c1-21-15-8-13-14(9-16(15)22-2)18-10-19-17(13)20-11-5-4-6-12(7-11)23-3/h4-10H,1-3H3,(H,18,19,20) | | Definition date: | 1999-12-07 | | Last modified: | 2011-06-04 | | Identifier: | 6,7-dimethoxy-N-[3-(methylsulfanyl)phenyl]quinazolin-4-amine |
|
 | | MSS | | Name: | (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM | | Formula: | C10 H12 Mo N5 O7 P S2 | | SMILES: | O=P(O)(O)OCC2OC3NC=4N=C(N)NC(=O)C=4NC3C=1S[Mo](=O)SC=12 | | InChi: | InChI=1S/C10H14N5O6PS2.Mo.O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19 | | Definition date: | 2005-03-04 | | Last modified: | 2011-06-04 | | Identifier: | oxo(phosphate)molybdenum |
|
 | | MST | | Name: | 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE | | Formula: | C10 H19 N5 S | | SMILES: | S(c1nc(nc(n1)NC(C)(C)C)NCC)C | | InChi: | InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15) | | Definition date: | 2000-01-17 | | Last modified: | 2011-06-04 | | Identifier: | N-tert-butyl-N'-ethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine |
|
 | | MTZ | | Name: | 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE | | Formula: | C18 H20 N6 O S | | SMILES: | N2=C(c1sc(nc1C)N)CC=NC/2=Nc4ccc(N3CCOCC3)cc4 | | InChi: | InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18- | | Definition date: | 2005-11-01 | | Last modified: | 2011-06-04 | | Identifier: | 4-methyl-5-{(2Z)-2-[(4-morpholin-4-ylphenyl)imino]-2,5-dihydropyrimidin-4-yl}-1,3-thiazol-2-amine |
|
 | | 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 |
|
 | | CYP | | Name: | 9R,10R-9-GLUTATHIONYL-10-HYDROXY-9,10-DIHYDRO PHENANTHRENE | | Formula: | C24 H27 N3 O7 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O | | InChi: | InChI=1/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1/f/h26-27,29,33H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine |
|
