3-[[3-benzamido-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-benzamido-4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(2-phenylacetyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(2-phenylacetyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(2-phenylacetyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C34H33N5O5 MolecularWeight: 591.65632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)CC5=CC=CC=C5

InChI

InChI=1S/C34H33N5O5/c40-31(20-24-8-3-1-4-9-24)39-18-16-38(17-19-39)30-14-13-26(21-29(30)37-33(43)25-10-5-2-6-11-25)34(44)36-28(22-32(41)42)27-12-7-15-35-23-27/h1-15,21,23,28H,16-20,22H2,(H,36,44)(H,37,43)(H,41,42)