9FZ
Summary
| Name: | (2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid |
| Formula: | C8 H14 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 198.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-5-(4-methyl-1,2,3-triazol-1-yl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H14N4O2/c1-6-5-12(11-10-6)4-2-3-7(9)8(13)14/h5,7H,2-4,9H2,1H3,(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | LHBOSGIBFGATPC-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(CCC[C@H](N)C(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | Cc1cn(CCC[CH](N)C(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cn(nn1)CCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cn(nn1)CCCC(C(=O)O)N |
