3-[[4-[(4-cyclohexylcyclohexyl)-[[3-methylsulfonyl-4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-methylsulfonyl-4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-methylsulfonyl-4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylcyclohexyl)-[[[3-methylsulfonyl-4-(trifluoromethoxy)anilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-methylsulfonyl-4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-mesyl-4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C32H40F3N3O7S MolecularWeight: 667.73611

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)NC(=O)NC(C2CCC(CC2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)NC(=O)NC(C2CCC(CC2)C3CCCCC3)C4=CC=C(C=C4)C(=O)NCCC(=O)O)OC(F)(F)F

InChI

InChI=1S/C32H40F3N3O7S/c1-46(43,44)27-19-25(15-16-26(27)45-32(33,34)35)37-31(42)38-29(22-9-7-21(8-10-22)20-5-3-2-4-6-20)23-11-13-24(14-12-23)30(41)36-18-17-28(39)40/h11-16,19-22,29H,2-10,17-18H2,1H3,(H,36,41)(H,39,40)(H2,37,38,42)