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

Systemtic Name: 3-(3-nitrophenyl)-3-[[1-(2-phenylethanoyl)-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-(3-nitrophenyl)-3-[[1-(2-phenylacetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-(1-oxo-2-phenylethyl)-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-(3-nitrophenyl)-3-[[1-(2-phenylacetyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-(3-nitrophenyl)-3-[[1-(2-phenylacetyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C25H24N4O8S2 MolecularWeight: 572.61006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)CC2=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)CC2=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/C25H24N4O8S2/c30-21(14-17-6-2-1-3-7-17)27-11-12-28(39(36,37)23-10-5-13-38-23)25(27)24(33)26-20(16-22(31)32)18-8-4-9-19(15-18)29(34)35/h1-10,13,15,20,25H,11-12,14,16H2,(H,26,33)(H,31,32)