(phenylmethyl) (2S)-2-[(3-methyl-2-oxidanylidene-butanoyl)amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(3-methyl-2-oxidanylidene-butanoyl)amino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[(3-methyl-2-oxo-butanoyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(3-methyl-1,2-dioxobutyl)amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3-methyl-2-oxobutanoyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-keto-3-methyl-butanoyl)amino]-3-phenyl-propionic acid benzyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23NO4/c1-15(2)19(23)20(24)22-18(13-16-9-5-3-6-10-16)21(25)26-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,22,24)/t18-/m0/s1