3-[[4-[(4-cyclohexylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylphenyl)-[[oxo-[4-(trifluoromethylthio)anilino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylphenyl)-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylphenyl)-[[4-(trifluoromethylthio)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C31H32F3N3O4S MolecularWeight: 599.66369

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC=C(C=C4)SC(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC=C(C=C4)SC(F)(F)F

InChI

InChI=1S/C31H32F3N3O4S/c32-31(33,34)42-26-16-14-25(15-17-26)36-30(41)37-28(22-8-6-21(7-9-22)20-4-2-1-3-5-20)23-10-12-24(13-11-23)29(40)35-19-18-27(38)39/h6-17,20,28H,1-5,18-19H2,(H,35,40)(H,38,39)(H2,36,37,41)