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

Systemtic Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-phenylmethoxycarbonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzyloxycarbonyl-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-(4-fluorophenyl)sulfonyl-3-phenylmethoxycarbonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(4-fluorophenyl)sulfonyl-3-phenylmethoxycarbonylimidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-carbobenzoxy-3-(4-fluorophenyl)sulfonyl-imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H32FN3O7S MolecularWeight: 561.622283

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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)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32FN3O7S/c28-21-11-13-22(14-12-21)39(36,37)31-16-15-30(27(35)38-18-19-7-3-1-4-8-19)26(31)25(34)29-23(17-24(32)33)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,23,26H,2,5-6,9-10,15-18H2,(H,29,34)(H,32,33)