3-(3-nitrophenyl)-3-[(1-phenoxycarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-nitrophenyl)-3-[(1-phenoxycarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[[1-phenoxycarbonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-[oxo(phenoxy)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[(1-phenoxycarbonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[[1-carbophenoxy-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C24H22N4O9S2 MolecularWeight: 574.58288

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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)C4=CC=CS4

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)C4=CC=CS4

InChI

InChI=1S/C24H22N4O9S2/c29-20(30)15-19(16-6-4-7-17(14-16)28(33)34)25-22(31)23-26(24(32)37-18-8-2-1-3-9-18)11-12-27(23)39(35,36)21-10-5-13-38-21/h1-10,13-14,19,23H,11-12,15H2,(H,25,31)(H,29,30)