methyl (2S,3S)-3-methyl-2-[3-oxidanylidenebutanoyl-(phenylmethyl)amino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[3-oxidanylidenebutanoyl-(phenylmethyl)amino]pentanoate Openeye Name: methyl (2S,3S)-2-[benzyl(3-oxobutanoyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[1,3-dioxobutyl-(phenylmethyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[benzyl(3-oxobutanoyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[acetoacetyl(benzyl)amino]-3-methyl-valeric acid methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-5-13(2)17(18(22)23-4)19(16(21)11-14(3)20)12-15-9-7-6-8-10-15/h6-10,13,17H,5,11-12H2,1-4H3/t13-,17-/m0/s1