GSN
Summary
| Name: | 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE |
| Synonyms: | S-NITROSOGLUTATHIONE S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE |
| Formula: | C10 H14 N4 O7 S |
| Formal charge: | -2 |
| Formula weight: | 334.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-5-({(1R)-2-[(carboxylatomethyl)amino]-1-[(nitrososulfanyl)methyl]-2-oxoethyl}amino)-5-oxopentanoate |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[[(2R)-3-nitrososulfanyl-1-[(2-oxido-2-oxo-ethyl)amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NCC([O-])=O)CSN=O)CCC(C([O-])=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(=O)N[C@@H](CSN=O)C(=O)NCC([O-])=O)C([O-])=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([O-])=O)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-])N |
| InChI | InChI | 1.03 | InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-2/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | HYHSBSXUHZOYLX-WDSKDSINSA-L |
