methyl (3S)-3-azanyl-4-[butyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-3-azanyl-4-[butyl-(phenylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-3-amino-4-[benzyl(butyl)amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[butyl-(phenylmethyl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-amino-4-[benzyl(butyl)amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[benzyl(butyl)amino]-4-keto-butyric acid methyl ester Formula: C16H24N2O3 MolecularWeight: 292.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C(CC(=O)OC)N

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)[C@H](CC(=O)OC)N

InChI

InChI=1S/C16H24N2O3/c1-3-4-10-18(12-13-8-6-5-7-9-13)16(20)14(17)11-15(19)21-2/h5-9,14H,3-4,10-12,17H2,1-2H3/t14-/m0/s1