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

Systemtic Name: 3-[[3-[(4-nitrophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(4-nitrobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(4-nitrophenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(4-nitrobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H29N7O7 MolecularWeight: 623.61536

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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=C(C=C4)[N+](=O)[O-])C(=O)C5=CN=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=C(C=C4)[N+](=O)[O-])C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H29N7O7/c40-29(41)18-26(23-3-1-11-33-19-23)35-31(43)22-7-10-28(27(17-22)36-30(42)21-5-8-25(9-6-21)39(45)46)37-13-15-38(16-14-37)32(44)24-4-2-12-34-20-24/h1-12,17,19-20,26H,13-16,18H2,(H,35,43)(H,36,42)(H,40,41)