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

Systemtic Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-tert-butylcyclohexyl)-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-tert-butylcyclohexyl)-[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C29H36F3N3O4 MolecularWeight: 547.60905

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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=CC=CC(=C3)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=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C29H36F3N3O4/c1-28(2,3)21-13-11-19(12-14-21)25(18-7-9-20(10-8-18)26(38)33-16-15-24(36)37)35-27(39)34-23-6-4-5-22(17-23)29(30,31)32/h4-10,17,19,21,25H,11-16H2,1-3H3,(H,33,38)(H,36,37)(H2,34,35,39)