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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O3/c1-9(2)6-10(12(18)19-3)15-11(17)4-5-16-8-13-7-14-16/h7-10H,4-6H2,1-3H3,(H,15,17)