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

Systemtic Name: 3-[[3-benzamido-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-benzoylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-benzoyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-benzoylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-benzoylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C33H31N5O5 MolecularWeight: 577.62974

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C33H31N5O5/c39-30(40)21-27(26-12-7-15-34-22-26)35-32(42)25-13-14-29(28(20-25)36-31(41)23-8-3-1-4-9-23)37-16-18-38(19-17-37)33(43)24-10-5-2-6-11-24/h1-15,20,22,27H,16-19,21H2,(H,35,42)(H,36,41)(H,39,40)