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

Systemtic Name: 3-(4-methylphenyl)-3-[[3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-(4-methylphenyl)-3-[[[3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-methylphenyl)-3-[[3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 3-[[3-nitro-4-[4-(2-thenoyl)piperazino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C26H26N4O6S MolecularWeight: 522.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O6S/c1-17-4-6-18(7-5-17)20(16-24(31)32)27-25(33)19-8-9-21(22(15-19)30(35)36)28-10-12-29(13-11-28)26(34)23-3-2-14-37-23/h2-9,14-15,20H,10-13,16H2,1H3,(H,27,33)(H,31,32)