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

Systemtic Name: 3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamoylamino]propanoic acid Openeye Name: 2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]propanoic acid IUPAC Name: 2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(benzylcarbamoylamino)-3-(1H-indol-3-yl)propionic acid Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c23-18(24)17(10-14-12-20-16-9-5-4-8-15(14)16)22-19(25)21-11-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,23,24)(H2,21,22,25)