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

Systemtic Name: 3-[[3-benzamido-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C33H30FN5O5 MolecularWeight: 595.620203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H30FN5O5/c34-26-11-8-22(9-12-26)27(20-30(40)41)36-32(43)24-10-13-29(28(19-24)37-31(42)23-5-2-1-3-6-23)38-15-17-39(18-16-38)33(44)25-7-4-14-35-21-25/h1-14,19,21,27H,15-18,20H2,(H,36,43)(H,37,42)(H,40,41)