HIX
Summary
| Name: | 3-(1H-1,2,3-triazol-5-yl)-L-alanine |
| Formula: | C5 H8 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 156.143 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1H-1,2,3-triazol-5-yl)-L-alanine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-3-(1H-1,2,3-triazol-5-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)Cc1nnnc1 |
| InChI | InChI | 1.03 | InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | YCHNJQXUYMPHNB-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1[nH]nnc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1[nH]nnc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c([nH]nn1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c([nH]nn1)CC(C(=O)O)N |
