3-[[3-[4-(azepan-1-yl)-3-benzamido-phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[4-(azepan-1-yl)-3-benzamido-phenyl]phenyl]methyl-cyclopropylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[4-(azepan-1-yl)-3-benzamido-phenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid CAS Name: 3-[[3-[4-(1-azepanyl)-3-benzamidophenyl]phenyl]methyl-[cyclopropyl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[4-(azepan-1-yl)-3-benzamidophenyl]phenyl]methyl-(cyclopropanecarbonyl)amino]propanoic acid Traditional Name: 3-[[3-[4-(azepan-1-yl)-3-benzamido-phenyl]benzyl]-(cyclopropanecarbonyl)amino]propionic acid Formula: C33H37N3O4 MolecularWeight: 539.66458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCC(=O)O)C(=O)C4CC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H37N3O4/c37-31(38)17-20-36(33(40)26-13-14-26)23-24-9-8-12-27(21-24)28-15-16-30(35-18-6-1-2-7-19-35)29(22-28)34-32(39)25-10-4-3-5-11-25/h3-5,8-12,15-16,21-22,26H,1-2,6-7,13-14,17-20,23H2,(H,34,39)(H,37,38)