3-[(1-cyclohexylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[(1-cyclohexylcarbonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[1-(cyclohexanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[1-[cyclohexyl(oxo)methyl]-3-thiophen-2-ylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[1-(cyclohexanecarbonyl)-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[1-(cyclohexanecarbonyl)-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C24H28FN3O6S2 MolecularWeight: 537.624023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(C2C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H28FN3O6S2/c25-18-10-8-16(9-11-18)19(15-20(29)30)26-22(31)23-27(24(32)17-5-2-1-3-6-17)12-13-28(23)36(33,34)21-7-4-14-35-21/h4,7-11,14,17,19,23H,1-3,5-6,12-13,15H2,(H,26,31)(H,29,30)