HJH
Summary
| Name: | (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid |
| Formula: | C6 H10 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 186.169 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H10N4O3/c1-10-8-4(5(11)9-10)2-3(7)6(12)13/h3H,2,7H2,1H3,(H,9,11)(H,12,13)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | INIGHNGDJJNUCU-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(O)c(C[C@H](N)C(O)=O)n1 |
| SMILES | CACTVS | 3.385 | Cn1nc(O)c(C[CH](N)C(O)=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1nc(c(n1)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1nc(c(n1)O)CC(C(=O)O)N |
