Showing Metabocard for 2-(glycyl-L-cystein-S-yl)-2-(1H-indol-3-yl)acetonitrile (BASm0008818)
| Common Name | 2-(glycyl-l-cystein-s-yl)-2-(1h-indol-3-yl)acetonitrile |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C15H16N4O3S |
| Average Mass | 332.38000 |
| Monoisotopic Mass | 332.09431 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | N#CC(SC[C@H]([NH3+])C(=O)NCC(=O)[O-])c1c[nH]c2ccccc12 |
| InChI Identifier | InChI=1S/C15H16N4O3S/c16-5-13(10-6-18-12-4-2-1-3-9(10)12)23-8-11(17)15(22)19-7-14(20)21/h1-4,6,11,13,18H,7-8,17H2,(H,19,22)(H,20,21)/t11-,13?/m0/s1 |
| InChI Key | KRSCQOPJLNSQDL-AMGKYWFPSA-N |
| CHEBI ID | CHEBI:136832 |
| MiMeDB ID | MMDBc0050851 |
| State | Expected Solid |
| 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 | Not Available |
| Polarizability | Not Available |