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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C(C)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C16H22N2O4/c1-5-17-14(19)12(4)22-16(21)11(3)18-15(20)13-8-6-7-10(2)9-13/h6-9,11-12H,5H2,1-4H3,(H,17,19)(H,18,20)/t11-,12-/m0/s1