3-[[3-[(4-nitrophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-[(4-nitrophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-[(4-nitrobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[(4-nitrophenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-[(4-nitrobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C31H28N6O7S MolecularWeight: 628.65502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)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=CC=CS3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CN=CC=C5

InChI

InChI=1S/C31H28N6O7S/c38-28(39)18-25(27-4-2-16-45-27)34-30(41)21-7-10-26(24(17-21)33-29(40)20-5-8-23(9-6-20)37(43)44)35-12-14-36(15-13-35)31(42)22-3-1-11-32-19-22/h1-11,16-17,19,25H,12-15,18H2,(H,33,40)(H,34,41)(H,38,39)