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

Systemtic Name: 3-cyclohexyl-3-[[1-(3-fluorophenyl)carbonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-benzylsulfonyl-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-fluorophenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-benzylsulfonyl-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexylpropanoic acid Traditional Name: 3-[[1-benzylsulfonyl-3-(3-fluorobenzoyl)imidazolidine-2-carbonyl]amino]-3-cyclohexyl-propionic acid Formula: C27H32FN3O6S MolecularWeight: 545.622883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2S(=O)(=O)CC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H32FN3O6S/c28-22-13-7-12-21(16-22)27(35)30-14-15-31(38(36,37)18-19-8-3-1-4-9-19)26(30)25(34)29-23(17-24(32)33)20-10-5-2-6-11-20/h1,3-4,7-9,12-13,16,20,23,26H,2,5-6,10-11,14-15,17-18H2,(H,29,34)(H,32,33)