3-[[1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[[1-[3,5-bis(fluoranyl)phenyl]carbonyl-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]-3-cyclohexyl-propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3,5-difluorobenzoyl)-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3,5-difluorophenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3,5-difluorobenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3,5-difluorobenzoyl)-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propionic acid Formula: C26H29F2N3O5S MolecularWeight: 533.587366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC(=C3)F)F)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)NC(=O)C2N(CCN2C(=O)C3=CC(=CC(=C3)F)F)C(=O)CC4=CC=CS4

InChI

InChI=1S/C26H29F2N3O5S/c27-18-11-17(12-19(28)13-18)26(36)31-9-8-30(22(32)14-20-7-4-10-37-20)25(31)24(35)29-21(15-23(33)34)16-5-2-1-3-6-16/h4,7,10-13,16,21,25H,1-3,5-6,8-9,14-15H2,(H,29,35)(H,33,34)