2-acetamido-4-[2-[(2-phenylmethoxycarbonylphenyl)amino]propanoylamino]benzoic acid

Systemtic Name: 2-acetamido-4-[2-[(2-phenylmethoxycarbonylphenyl)amino]propanoylamino]benzoic acid Openeye Name: 2-acetamido-4-[2-(2-benzyloxycarbonylanilino)propanoylamino]benzoic acid CAS Name: 2-acetamido-4-[[1-oxo-2-(2-phenylmethoxycarbonylanilino)propyl]amino]benzoic acid IUPAC Name: 2-acetamido-4-[2-(2-phenylmethoxycarbonylanilino)propanoylamino]benzoic acid Traditional Name: 2-acetamido-4-[2-(2-carbobenzoxyanilino)propanoylamino]benzoic acid Formula: C26H25N3O6 MolecularWeight: 475.4932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C)NC2=CC=CC=C2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C)NC2=CC=CC=C2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O6/c1-16(24(31)29-19-12-13-20(25(32)33)23(14-19)28-17(2)30)27-22-11-7-6-10-21(22)26(34)35-15-18-8-4-3-5-9-18/h3-14,16,27H,15H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)