(phenylmethyl) (4S)-4-benzamido-5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-benzamido-5-[(4-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-4-benzamido-5-(4-methylanilino)-5-oxo-pentanoate CAS Name: (4S)-4-benzamido-5-(4-methylanilino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-benzamido-5-(4-methylanilino)-5-oxopentanoate Traditional Name: (4S)-4-benzamido-5-keto-5-(p-toluidino)valeric acid benzyl ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4/c1-19-12-14-22(15-13-19)27-26(31)23(28-25(30)21-10-6-3-7-11-21)16-17-24(29)32-18-20-8-4-2-5-9-20/h2-15,23H,16-18H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1