3-[[4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazin-1-yl]-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-2,5-dimethyl-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazino]-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C24H28N4O6S MolecularWeight: 500.56732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C2CC2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(C(CN1C(=O)C2CC2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O6S/c1-14-13-27(24(32)16-5-6-16)15(2)12-26(14)19-8-7-17(10-20(19)28(33)34)23(31)25-18(11-22(29)30)21-4-3-9-35-21/h3-4,7-10,14-16,18H,5-6,11-13H2,1-2H3,(H,25,31)(H,29,30)