HJ8
Summary
| Name: | (2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid |
| Formula: | C7 H12 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 200.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12N4O3/c1-2-11-5(6(12)9-10-11)3-4(8)7(13)14/h4,12H,2-3,8H2,1H3,(H,13,14)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | ROBLGUMDXHEHOO-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1nnc(O)c1C[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCn1nnc(O)c1C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCn1c(c(nn1)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCn1c(c(nn1)O)CC(C(=O)O)N |
