5LB
Summary
| Name: | (2~{S})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid |
| Formula: | C7 H13 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 199.21 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-3-[1-(2-azanylethyl)-1,2,3-triazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H13N5O2/c8-1-2-12-4-5(10-11-12)3-6(9)7(13)14/h4,6H,1-3,8-9H2,(H,13,14)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | CDWRPPPJESVLJS-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCn1cc(C[C@H](N)C(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | NCCn1cc(C[CH](N)C(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c(nnn1CCN)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1c(nnn1CCN)CC(C(=O)O)N |
