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

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)carbamoylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-(m-tolylcarbamoylamino)propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(3-methylanilino)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)carbamoylamino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-(m-tolylcarbamoylamino)propionic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-12-5-4-6-14(9-12)21-19(25)22-17(18(23)24)10-13-11-20-16-8-3-2-7-15(13)16/h2-9,11,17,20H,10H2,1H3,(H,23,24)(H2,21,22,25)/t17-/m0/s1