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

Systemtic Name: 3-[[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazino]-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C23H27N5O7S MolecularWeight: 517.55478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C23H27N5O7S/c29-21(30)15-17(20-2-1-13-36-20)24-22(31)16-3-4-18(19(14-16)28(33)34)25-5-7-26(8-6-25)23(32)27-9-11-35-12-10-27/h1-4,13-14,17H,5-12,15H2,(H,24,31)(H,29,30)