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

Systemtic Name: methyl 2-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoate Openeye Name: methyl 2-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoate CAS Name: 2-methyl-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]pentanoate Traditional Name: 2-methyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]valeric acid methyl ester Formula: C12H20N4O3 MolecularWeight: 268.3122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NC(=O)CCN1C=NC=N1

Isomeric SMILES

CCCC(C)(C(=O)OC)NC(=O)CCN1C=NC=N1

InChI

InChI=1S/C12H20N4O3/c1-4-6-12(2,11(18)19-3)15-10(17)5-7-16-9-13-8-14-16/h8-9H,4-7H2,1-3H3,(H,15,17)