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

Systemtic Name: 3-[[4-(2,5-dimethyl-4-morpholin-4-ylcarbonyl-piperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[2,5-dimethyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[2,5-dimethyl-4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[2,5-dimethyl-4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[2,5-dimethyl-4-(morpholine-4-carbonyl)piperazino]-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C25H31N5O7S MolecularWeight: 545.60794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)N2CCOCC2)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)N2CCOCC2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O7S/c1-16-15-29(25(34)27-7-9-37-10-8-27)17(2)14-28(16)20-6-5-18(12-21(20)30(35)36)24(33)26-19(13-23(31)32)22-4-3-11-38-22/h3-6,11-12,16-17,19H,7-10,13-15H2,1-2H3,(H,26,33)(H,31,32)