3-[[4-[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethyloxy)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethyloxy)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)anilino]-oxomethyl]amino]-(4-cyclohexylphenyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[[3-(1,3-benzoxazol-2-yl)-4-(trifluoromethoxy)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propionic acid Formula: C38H35F3N4O6 MolecularWeight: 700.70291

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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)OC(F)(F)F)C5=NC6=CC=CC=C6O5

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)OC(F)(F)F)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C38H35F3N4O6/c39-38(40,41)51-31-19-18-28(22-29(31)36-44-30-8-4-5-9-32(30)50-36)43-37(49)45-34(25-12-10-24(11-13-25)23-6-2-1-3-7-23)26-14-16-27(17-15-26)35(48)42-21-20-33(46)47/h4-5,8-19,22-23,34H,1-3,6-7,20-21H2,(H,42,48)(H,46,47)(H2,43,45,49)