(phenylmethyl) (4S)-4-benzamido-5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-benzamido-5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-4-benzamido-5-oxo-5-[[(1S)-1-(p-tolyl)ethyl]amino]pentanoate CAS Name: (4S)-4-benzamido-5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-benzamido-5-[[(1S)-1-(4-methylphenyl)ethyl]amino]-5-oxopentanoate Traditional Name: (4S)-4-benzamido-5-keto-5-[[(1S)-1-(p-tolyl)ethyl]amino]valeric acid benzyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4/c1-20-13-15-23(16-14-20)21(2)29-28(33)25(30-27(32)24-11-7-4-8-12-24)17-18-26(31)34-19-22-9-5-3-6-10-22/h3-16,21,25H,17-19H2,1-2H3,(H,29,33)(H,30,32)/t21-,25-/m0/s1