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

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C30H30N6O7 MolecularWeight: 586.5952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H30N6O7/c37-27(38)17-24(22-2-1-11-31-18-22)32-29(40)21-7-10-26(34-12-14-35(15-13-34)30(41)20-3-4-20)25(16-21)33-28(39)19-5-8-23(9-6-19)36(42)43/h1-2,5-11,16,18,20,24H,3-4,12-15,17H2,(H,32,40)(H,33,39)(H,37,38)