SNK
Summary
| Name: | (2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid |
| Formula: | C8 H11 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 229.256 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O3S/c1-4(12)15-7-6(10-3-11-7)2-5(9)8(13)14/h3,5H,2,9H2,1H3,(H,10,11)(H,13,14)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | ARAQDIDMFIPYQR-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Sc1nc[nH]c1C[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Sc1nc[nH]c1C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Sc1c([nH]cn1)C[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Sc1c([nH]cn1)CC(C(=O)O)N |
