3-[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-(4-carbomethoxy-1,4-diazepan-1-yl)benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C31H34N4O6 MolecularWeight: 558.62486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)OC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H34N4O6/c1-21-9-11-22(12-10-21)25(20-28(36)37)32-30(39)24-13-14-27(34-15-6-16-35(18-17-34)31(40)41-2)26(19-24)33-29(38)23-7-4-3-5-8-23/h3-5,7-14,19,25H,6,15-18,20H2,1-2H3,(H,32,39)(H,33,38)(H,36,37)