5-[[3-carboxy-4-(2-phenylbutanoylamino)phenyl]methyl]-2-(2-phenylbutanoylamino)benzoic acid

Systemtic Name: 5-[[3-carboxy-4-(2-phenylbutanoylamino)phenyl]methyl]-2-(2-phenylbutanoylamino)benzoic acid Openeye Name: 5-[[3-carboxy-4-(2-phenylbutanoylamino)phenyl]methyl]-2-(2-phenylbutanoylamino)benzoic acid CAS Name: 5-[[3-carboxy-4-[(1-oxo-2-phenylbutyl)amino]phenyl]methyl]-2-[(1-oxo-2-phenylbutyl)amino]benzoic acid IUPAC Name: 5-[[3-carboxy-4-(2-phenylbutanoylamino)phenyl]methyl]-2-(2-phenylbutanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(2-phenylbutanoylamino)benzyl]-2-(2-phenylbutanoylamino)benzoic acid Formula: C35H34N2O6 MolecularWeight: 578.65426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C(CC)C4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)C(CC)C4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C35H34N2O6/c1-3-26(24-11-7-5-8-12-24)32(38)36-30-17-15-22(20-28(30)34(40)41)19-23-16-18-31(29(21-23)35(42)43)37-33(39)27(4-2)25-13-9-6-10-14-25/h5-18,20-21,26-27H,3-4,19H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)(H,42,43)