V5N
Summary
| Name: | (2S,3S)-2-azanyl-3-(1H-imidazol-5-yl)-3-oxidanyl-propanoic acid |
| Formula: | C6 H9 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 171.154 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)-3-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O3/c7-4(6(11)12)5(10)3-1-8-2-9-3/h1-2,4-5,10H,7H2,(H,8,9)(H,11,12)/t4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | KQMBIBBJWXGSEI-CRCLSJGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@H](O)c1[nH]cnc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)c1[nH]cnc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)[C@H]([C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c([nH]cn1)C(C(C(=O)O)N)O |
