3-(3-nitrophenyl)-3-[[1-phenoxycarbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[[1-phenoxycarbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[(1-benzylsulfonyl-3-phenoxycarbonyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-[oxo(phenoxy)methyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-phenoxycarbonylimidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-carbophenoxy-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C27H26N4O9S MolecularWeight: 582.58174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)OC2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N1C(=O)OC2=CC=CC=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O9S/c32-24(33)17-23(20-10-7-11-21(16-20)31(36)37)28-25(34)26-29(27(35)40-22-12-5-2-6-13-22)14-15-30(26)41(38,39)18-19-8-3-1-4-9-19/h1-13,16,23,26H,14-15,17-18H2,(H,28,34)(H,32,33)