(2S)-3-(1H-indol-3-yl)-2-[(2-methylphenyl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methylphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methylbenzoyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(2-methylbenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(o-toluoylamino)propionic acid Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H18N2O3/c1-12-6-2-3-7-14(12)18(22)21-17(19(23)24)10-13-11-20-16-9-5-4-8-15(13)16/h2-9,11,17,20H,10H2,1H3,(H,21,22)(H,23,24)/t17-/m0/s1