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

Systemtic Name: 3-cyclohexyl-3-[[1-(3-fluorophenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)imidazolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-cyclohexyl-3-[[[1-[(3-fluorophenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-2-imidazolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carbonyl]amino]propanoic acid Traditional Name: 3-cyclohexyl-3-[[1-(3-fluorobenzoyl)-3-[2-(2-thienyl)acetyl]imidazolidine-2-carbonyl]amino]propionic acid Formula: C26H30FN3O5S MolecularWeight: 515.596903

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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)C(=O)CC4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN3O5S/c27-19-9-4-8-18(14-19)26(35)30-12-11-29(22(31)15-20-10-5-13-36-20)25(30)24(34)28-21(16-23(32)33)17-6-2-1-3-7-17/h4-5,8-10,13-14,17,21,25H,1-3,6-7,11-12,15-16H2,(H,28,34)(H,32,33)