(2S)-2-[(2,6-dimethylphenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(2,6-dimethylphenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(2,6-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2,6-dimethylphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(2,6-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(2,6-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C20H20N2O3/c1-12-6-5-7-13(2)18(12)19(23)22-17(20(24)25)10-14-11-21-16-9-4-3-8-15(14)16/h3-9,11,17,21H,10H2,1-2H3,(H,22,23)(H,24,25)/t17-/m0/s1