Showing Metabocard for 2-(glutathion-S-yl)-2-(1H-indol-3-yl)acetonitrile (BASm0004690)
| Common Name | 2-(glutathion-s-yl)-2-(1h-indol-3-yl)acetonitrile |
|---|---|
| Description | A peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of gammaGluCys(IAN)Glu. |
| Structure | |
| Molecular Formula | C20H22N5O6S |
| Average Mass | 460.48400 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | N#CC(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])c1c[nH]c2ccccc12 |
| InChI Identifier | InChI=1S/C20H23N5O6S/c21-7-16(12-8-23-14-4-2-1-3-11(12)14)32-10-15(19(29)24-9-18(27)28)25-17(26)6-5-13(22)20(30)31/h1-4,8,13,15-16,23H,5-6,9-10,22H2,(H,24,29)(H,25,26)(H,27,28)(H,30,31)/p-1/t13-,15-,16?/m0/s1 |
| InChI Key | IYKWLNJKMRZQJG-JFXOEICMSA-M |
| CHEBI ID | CHEBI:64981 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | -1 |
| Polarizability | Not Available |