2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]carbonyl-amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)ethyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl-[oxo-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)ethyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C36H35F3N2O5 MolecularWeight: 632.66871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C36H35F3N2O5/c1-35(2,3)46-34(45)40-21-22-41(31(33(43)44)23-24-9-11-26(12-10-24)25-7-5-4-6-8-25)32(42)29-15-13-27(14-16-29)28-17-19-30(20-18-28)36(37,38)39/h4-20,31H,21-23H2,1-3H3,(H,40,45)(H,43,44)