methyl (2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-acetamido-3-(p-tolyl)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-acetamido-3-(4-methylphenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-acetamido-3-(p-tolyl)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)NC(=O)C

InChI

InChI=1S/C22H26N2O4/c1-15-9-11-18(12-10-15)19(23-16(2)25)14-21(26)24-20(22(27)28-3)13-17-7-5-4-6-8-17/h4-12,19-20H,13-14H2,1-3H3,(H,23,25)(H,24,26)/t19?,20-/m0/s1