[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC(=O)OC(C)C(=O)NCC2CCCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)O[C@@H](C)C(=O)NCC2CCCCC2

InChI

InChI=1S/C20H28N2O4/c1-14-7-6-10-17(11-14)20(25)22-13-18(23)26-15(2)19(24)21-12-16-8-4-3-5-9-16/h6-7,10-11,15-16H,3-5,8-9,12-13H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1