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

Systemtic Name: 3-[[4-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C24H29N5O7S MolecularWeight: 531.58136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O7S/c30-22(31)16-18(21-3-1-14-37-21)25-23(32)17-4-5-19(20(15-17)29(34)35)26-6-2-7-27(9-8-26)24(33)28-10-12-36-13-11-28/h1,3-5,14-15,18H,2,6-13,16H2,(H,25,32)(H,30,31)