(3-methylbutanoylamino) 2-[ethanoyl-(phenylmethyl)amino]ethanoate

Systemtic Name: (3-methylbutanoylamino) 2-[ethanoyl-(phenylmethyl)amino]ethanoate Openeye Name: (3-methylbutanoylamino) 2-[acetyl(benzyl)amino]acetate CAS Name: 2-[acetyl-(phenylmethyl)amino]acetic acid [(3-methyl-1-oxobutyl)amino] ester IUPAC Name: (3-methylbutanoylamino) 2-[acetyl(benzyl)amino]acetate Traditional Name: 2-[acetyl(benzyl)amino]acetic acid (isovalerylamino) ester Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NOC(=O)CN(CC1=CC=CC=C1)C(=O)C

Isomeric SMILES

CC(C)CC(=O)NOC(=O)CN(CC1=CC=CC=C1)C(=O)C

InChI

InChI=1S/C16H22N2O4/c1-12(2)9-15(20)17-22-16(21)11-18(13(3)19)10-14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,17,20)