3-[[3-[3-benzamido-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[3-benzamido-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-benzamido-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[3-benzamido-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-benzamido-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-benzamido-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C36H35N3O4 MolecularWeight: 573.6808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCC5=CC=CC=C5C4)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CC1C(=O)N(CCC(=O)O)CC2=CC=CC(=C2)C3=CC(=C(C=C3)N4CCC5=CC=CC=C5C4)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C36H35N3O4/c40-34(41)18-20-39(36(43)28-13-14-28)23-25-7-6-12-29(21-25)30-15-16-33(38-19-17-26-8-4-5-11-31(26)24-38)32(22-30)37-35(42)27-9-2-1-3-10-27/h1-12,15-16,21-22,28H,13-14,17-20,23-24H2,(H,37,42)(H,40,41)