[(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] 2-acetamido-3-methyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [(1S)-2-keto-1-methyl-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OC(C)C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)O[C@@H](C)C(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4/c1-13-9-8-12-18(19(13)23-16(4)24)21(26)27-15(3)20(25)22-14(2)17-10-6-5-7-11-17/h5-12,14-15H,1-4H3,(H,22,25)(H,23,24)/t14-,15-/m0/s1