methyl 3-[[(2R,3S)-3-acetamido-4-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-butyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoate

Systemtic Name: methyl 3-[[(2R,3S)-3-acetamido-4-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-butyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoate Openeye Name: methyl 3-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxy-butyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoate CAS Name: 3-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxy-butyl]amino]-3-[3-(trifluoromethyl)phenyl]propionic acid methyl ester Formula: C23H25F5N2O4 MolecularWeight: 488.447616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC(=C1)F)F)C(CNC(CC(=O)OC)C2=CC(=CC=C2)C(F)(F)F)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC(CC(=O)OC)C2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C23H25F5N2O4/c1-13(31)30-20(8-14-6-17(24)10-18(25)7-14)21(32)12-29-19(11-22(33)34-2)15-4-3-5-16(9-15)23(26,27)28/h3-7,9-10,19-21,29,32H,8,11-12H2,1-2H3,(H,30,31)/t19?,20-,21+/m0/s1