3-[[3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-benzoylpiperazin-1-yl)-3-[(6-chloropyridine-3-carbonyl)amino]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-benzoyl-1-piperazinyl)-3-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-benzoylpiperazin-1-yl)-3-[(6-chloropyridine-3-carbonyl)amino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-benzoylpiperazino)-3-[(6-chloronicotinoyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H29ClN6O5 MolecularWeight: 613.06286

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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=CN=C(C=C4)Cl)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=CN=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H29ClN6O5/c33-28-11-9-24(20-35-28)31(43)37-26-17-22(30(42)36-25(18-29(40)41)23-7-4-12-34-19-23)8-10-27(26)38-13-15-39(16-14-38)32(44)21-5-2-1-3-6-21/h1-12,17,19-20,25H,13-16,18H2,(H,36,42)(H,37,43)(H,40,41)