3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[[4-(cyclopropylmethoxy)-2-(trifluoromethyl)anilino]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[4-(cyclopropylmethoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C33H42F3N3O5 MolecularWeight: 617.69889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=C(C=C(C=C3)OCC4CC4)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=C(C=C(C=C3)OCC4CC4)C(F)(F)F

InChI

InChI=1S/C33H42F3N3O5/c1-32(2,3)24-12-10-22(11-13-24)29(21-6-8-23(9-7-21)30(42)37-17-16-28(40)41)39-31(43)38-27-15-14-25(44-19-20-4-5-20)18-26(27)33(34,35)36/h6-9,14-15,18,20,22,24,29H,4-5,10-13,16-17,19H2,1-3H3,(H,37,42)(H,40,41)(H2,38,39,43)