5LE
Summary
Name: | (2~{S})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid |
Formula: | C8 H15 N5 O2 |
Formal charge: | 0 |
Formula weight: | 213.237 Da |
Component type: | peptide linking |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.4 | (2~{S})-2-azanyl-3-[1-(3-azanylpropyl)-1,2,3-triazol-4-yl]propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H15N5O2/c9-2-1-3-13-5-6(11-12-13)4-7(10)8(14)15/h5,7H,1-4,9-10H2,(H,14,15)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | KITLWZLAKBJSKP-ZETCQYMHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCCCn1cc(C[C@H](N)C(O)=O)nn1 |
SMILES | CACTVS | 3.385 | NCCCn1cc(C[CH](N)C(O)=O)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c(nnn1CCCN)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.4 | c1c(nnn1CCCN)CC(C(=O)O)N |