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

Systemtic Name: 3-[[3-[(4-nitrophenyl)carbamoylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(4-nitrophenyl)carbamoylamino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(4-nitroanilino)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(4-nitrophenyl)carbamoylamino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-[(4-nitrophenyl)carbamoylamino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H30N8O7 MolecularWeight: 638.63

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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)NC4=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)NC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H30N8O7/c41-29(42)18-26(22-3-1-11-33-19-22)36-30(43)21-5-10-28(38-13-15-39(16-14-38)31(44)23-4-2-12-34-20-23)27(17-21)37-32(45)35-24-6-8-25(9-7-24)40(46)47/h1-12,17,19-20,26H,13-16,18H2,(H,36,43)(H,41,42)(H2,35,37,45)