3-phenyl-2-[[1-(sulfanylmethyl)-4-(trifluoromethyl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[1-(sulfanylmethyl)-4-(trifluoromethyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[1-(sulfanylmethyl)-4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)-4-(trifluoromethyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[1-(sulfanylmethyl)-4-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(mercaptomethyl)-4-(trifluoromethyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C18H22F3NO3S MolecularWeight: 389.43239

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(F)(F)F)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(CCC1C(F)(F)F)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H22F3NO3S/c19-18(20,21)13-6-8-17(11-26,9-7-13)16(25)22-14(15(23)24)10-12-4-2-1-3-5-12/h1-5,13-14,26H,6-11H2,(H,22,25)(H,23,24)