3-(1H-indol-3-yl)-2-[(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)carbamoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)carbamoylamino]propanoic acid Openeye Name: 2-[(2-benzyloxy-1-methyl-2-oxo-ethyl)carbamoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[oxo-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]methyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(1-oxo-1-phenylmethoxypropan-2-yl)carbamoylamino]propanoic acid Traditional Name: 2-[(2-benzoxy-2-keto-1-methyl-ethyl)carbamoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H23N3O5/c1-14(21(28)30-13-15-7-3-2-4-8-15)24-22(29)25-19(20(26)27)11-16-12-23-18-10-6-5-9-17(16)18/h2-10,12,14,19,23H,11,13H2,1H3,(H,26,27)(H2,24,25,29)