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

Systemtic Name: 3-[[4-(4-methoxycarbonyl-2,5-dimethyl-piperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonyl-2,5-dimethyl-piperazin-1-yl)-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-2,5-dimethyl-1-piperazinyl)-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonyl-2,5-dimethylpiperazin-1-yl)-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxy-2,5-dimethyl-piperazino)-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)OC)C)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(C(CN1C(=O)OC)C)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7S/c1-13-12-25(22(30)33-3)14(2)11-24(13)17-7-6-15(9-18(17)26(31)32)21(29)23-16(10-20(27)28)19-5-4-8-34-19/h4-9,13-14,16H,10-12H2,1-3H3,(H,23,29)(H,27,28)