3-[[1-(3,4-dichlorophenyl)sulfonyl-3-[(4-fluorophenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[[1-(3,4-dichlorophenyl)sulfonyl-3-[(4-fluorophenyl)carbamoyl]imidazolidin-2-yl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(3,4-dichlorophenyl)sulfonyl-3-[(4-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-(3,4-dichlorophenyl)sulfonyl-3-[(4-fluoroanilino)-oxomethyl]-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(3,4-dichlorophenyl)sulfonyl-3-[(4-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(3,4-dichlorophenyl)sulfonyl-3-[(4-fluorophenyl)carbamoyl]imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C26H22Cl2F2N4O6S MolecularWeight: 627.443886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)NC2=CC=C(C=C2)F)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(C(N1C(=O)NC2=CC=C(C=C2)F)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H22Cl2F2N4O6S/c27-20-10-9-19(13-21(20)28)41(39,40)34-12-11-33(26(38)31-18-7-5-17(30)6-8-18)25(34)24(37)32-22(14-23(35)36)15-1-3-16(29)4-2-15/h1-10,13,22,25H,11-12,14H2,(H,31,38)(H,32,37)(H,35,36)