9G2
Summary
| Name: | (2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid |
| Formula: | C9 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.249 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-(4-ethyl-1,2,3-triazol-1-yl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | TVRCAVYCEUWWJW-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cn(CCC[C@H](N)C(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | CCc1cn(CCC[CH](N)C(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1cn(nn1)CCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1cn(nn1)CCCC(C(=O)O)N |
