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

Systemtic Name: 3-[[3-benzamido-4-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-(4-nicotinoyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C35H35N5O5 MolecularWeight: 605.6829

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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)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C35H35N5O5/c1-24-10-12-25(13-11-24)29(22-32(41)42)37-34(44)27-14-15-31(30(21-27)38-33(43)26-7-3-2-4-8-26)39-17-6-18-40(20-19-39)35(45)28-9-5-16-36-23-28/h2-5,7-16,21,23,29H,6,17-20,22H2,1H3,(H,37,44)(H,38,43)(H,41,42)