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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2CCCCCC2

InChI

InChI=1S/C22H32N2O4/c1-15(2)20(24-21(26)18-13-9-8-10-16(18)3)22(27)28-14-19(25)23-17-11-6-4-5-7-12-17/h8-10,13,15,17,20H,4-7,11-12,14H2,1-3H3,(H,23,25)(H,24,26)/t20-/m0/s1