[2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-[(2-methyl-1-phenyl-propyl)amino]-2-oxo-ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-keto-2-[(2-methyl-1-phenyl-propyl)amino]ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(C2=CC=CC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-16(2)22(19-11-7-6-8-12-19)26-21(28)15-31-25(30)23(17(3)4)27-24(29)20-13-9-10-18(5)14-20/h6-14,16-17,22-23H,15H2,1-5H3,(H,26,28)(H,27,29)/t22?,23-/m0/s1