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

Systemtic Name: 3-(3-nitrophenyl)-3-[[1-(phenylmethyl)sulfonyl-3-thiophen-2-ylcarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-(3-nitrophenyl)-3-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]methyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(thiophene-2-carbonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(2-thenoyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C25H24N4O8S2 MolecularWeight: 572.61006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=CS2)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)C2=CC=CS2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O8S2/c30-22(31)15-20(18-8-4-9-19(14-18)29(34)35)26-23(32)24-27(25(33)21-10-5-13-38-21)11-12-28(24)39(36,37)16-17-6-2-1-3-7-17/h1-10,13-14,20,24H,11-12,15-16H2,(H,26,32)(H,30,31)