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

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H22N2O4/c1-13-7-6-8-16(11-13)21(26)24-14(2)22(27)28-15(3)20(25)18-12-23-19-10-5-4-9-17(18)19/h4-12,14-15,23H,1-3H3,(H,24,26)/t14-,15+/m0/s1