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

Systemtic Name: 3-[[3-benzamido-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C34H33N5O5 MolecularWeight: 591.65632

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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)N3CCN(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)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H33N5O5/c1-23-9-11-24(12-10-23)28(21-31(40)41)36-33(43)26-13-14-30(29(20-26)37-32(42)25-6-3-2-4-7-25)38-16-18-39(19-17-38)34(44)27-8-5-15-35-22-27/h2-15,20,22,28H,16-19,21H2,1H3,(H,36,43)(H,37,42)(H,40,41)