GNB
Summary
| Name: | S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE |
| Formula: | C18 H24 N4 O10 S |
| Formal charge: | 0 |
| Formula weight: | 488.469 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-gamma-glutamyl-S-{(S)-hydroxy[(4-nitrobenzyl)oxy]methyl}-L-cysteinylglycine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[hydroxy-[(4-nitrophenyl)methoxy]methyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(OCc1ccc(cc1)[N+]([O-])=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(=O)N[C@@H](CS[C@@H](O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC(=O)N[CH](CS[CH](O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1COC(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C18H24N4O10S/c19-12(17(27)28)5-6-14(23)21-13(16(26)20-7-15(24)25)9-33-18(29)32-8-10-1-3-11(4-2-10)22(30)31/h1-4,12-13,18,29H,5-9,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-,18?/m0/s1 |
| InChIKey | InChI | 1.03 | QYFGPQQSJQOGEO-TVJRNMROSA-N |
