5LF
Summary
| Name: | (2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid |
| Formula: | C11 H21 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 255.317 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-3-[1-(6-azanylhexyl)-1,2,3-triazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H21N5O2/c12-5-3-1-2-4-6-16-8-9(14-15-16)7-10(13)11(17)18/h8,10H,1-7,12-13H2,(H,17,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | KOUNDXGKKSOPJO-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCCn1cc(C[C@H](N)C(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | NCCCCCCn1cc(C[CH](N)C(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c(nnn1CCCCCCN)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1c(nnn1CCCCCCN)CC(C(=O)O)N |
