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

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

Click to see the large picture

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=CC=CS5

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=CC=CS5

InChI

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