3-(Glutathion-S-yl)benzidine
(2S)-2-amino-5-[[(2R)-3-[2-amino-5-(4-aminophenyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: 3-(Glutathion-S-yl)benzidine|L-gammaGlu-S-(4,4 -Diaminobiphenyl-3-yl)-L-Cys-Gly-OH|Glycine, N-(S-(4,4'-diamino(1,1'-biphenyl)-3-yl)-N-L-gamma-glutamyl-L-cysteinyl)-|(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-({4,4'-diamino-[1,1'-biphenyl]-3-yl}sulfanyl)ethyl]carbamoyl}butanoic acid|(2S)-2-amino-5-[[(2R)-3-[2-amino-5-(4-aminophenyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid|5-({(2R)-1-[(Carboxymethyl)imino]-3-[(4,4'-diamino[1,1'-biphenyl]-3-yl)sulfanyl]-1-hydroxypropan-2-yl}imino)-5-hydroxy-L-norvaline|5-({1-[(Carboxymethyl)imino]-3-[(4,4'-diamino[1,1'-biphenyl]-3-yl)sulfanyl]-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline
| Molecular Formula | C22H27N5O6S |
|---|---|
| Molecular Weight | 489.1682 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 489.1682 |
| Monoisotopic Mass | 489.1682 |
| Heavy Atoms | 34 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 97145-40-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(C=C2)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)N |
| InChIKey | UNZDRHULIOHLKM-IRXDYDNUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Glutathion-S-yl)benzidine (CAS 97145-40-9), with molecular formula C22H27N5O6S and molecular weight 489.1682 g/mol. IUPAC: (2S)-2-amino-5-[[(2R)-3-[2-amino-5-(4-aminophenyl)phenyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.