2-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoic acid

Systemtic Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoic acid Openeye Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoic acid CAS Name: 2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]hexanoic acid IUPAC Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoic acid Traditional Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoic acid Formula: C11H18N4O3 MolecularWeight: 254.28562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CCN1C=NC=N1

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CCN1C=NC=N1

InChI

InChI=1S/C11H18N4O3/c1-2-3-4-9(11(17)18)14-10(16)5-6-15-8-12-7-13-15/h7-9H,2-6H2,1H3,(H,14,16)(H,17,18)