[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C21H30N2O4/c1-14-9-8-10-17(13-14)20(25)22-15(2)21(26)27-16(3)19(24)23-18-11-6-4-5-7-12-18/h8-10,13,15-16,18H,4-7,11-12H2,1-3H3,(H,22,25)(H,23,24)/t15-,16+/m0/s1