3-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1-(3-chloro-4-fluorophenyl)sulfonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1-(3-chloro-4-fluorophenyl)sulfonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-(3-chloro-4-fluoro-phenyl)sulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C23H27ClFN3O7S3 MolecularWeight: 608.122783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=CS3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H27ClFN3O7S3/c24-17-13-16(8-9-18(17)25)37(32,33)27-10-11-28(38(34,35)21-7-4-12-36-21)23(27)22(31)26-19(14-20(29)30)15-5-2-1-3-6-15/h4,7-9,12-13,15,19,23H,1-3,5-6,10-11,14H2,(H,26,31)(H,29,30)