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

Systemtic Name: 3-[[1,3-bis[(4-fluorophenyl)sulfonyl]imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-[[1,3-bis[(4-fluorophenyl)sulfonyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-[[[1,3-bis[(4-fluorophenyl)sulfonyl]-2-imidazolidinyl]-oxomethyl]amino]-3-cyclohexylpropanoic acid IUPAC Name: 3-[[1,3-bis[(4-fluorophenyl)sulfonyl]imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1,3-bis[(4-fluorophenyl)sulfonyl]imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C25H29F2N3O7S2 MolecularWeight: 585.640466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29F2N3O7S2/c26-18-6-10-20(11-7-18)38(34,35)29-14-15-30(39(36,37)21-12-8-19(27)9-13-21)25(29)24(33)28-22(16-23(31)32)17-4-2-1-3-5-17/h6-13,17,22,25H,1-5,14-16H2,(H,28,33)(H,31,32)