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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O3/c1-3-8(2)10(11(17)18)14-9(16)4-5-15-7-12-6-13-15/h6-8,10H,3-5H2,1-2H3,(H,14,16)(H,17,18)