methyl 2-(3-imidazol-1-ylpropanoylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(3-imidazol-1-ylpropanoylamino)-3-methyl-butanoate Openeye Name: methyl 2-(3-imidazol-1-ylpropanoylamino)-3-methyl-butanoate CAS Name: 2-[[3-(1-imidazolyl)-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(3-imidazol-1-ylpropanoylamino)-3-methylbutanoate Traditional Name: 2-(3-imidazol-1-ylpropanoylamino)-3-methyl-butyric acid methyl ester Formula: C12H19N3O3 MolecularWeight: 253.29756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCN1C=CN=C1

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)CCN1C=CN=C1

InChI

InChI=1S/C12H19N3O3/c1-9(2)11(12(17)18-3)14-10(16)4-6-15-7-5-13-8-15/h5,7-9,11H,4,6H2,1-3H3,(H,14,16)