[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-15(2)20(24-21(26)18-12-8-7-9-16(18)3)22(27)28-14-19(25)23-13-17-10-5-4-6-11-17/h4-12,15,20H,13-14H2,1-3H3,(H,23,25)(H,24,26)/t20-/m0/s1