butoxycarbonyl (2S)-2-azanyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: butoxycarbonyl (2S)-2-azanyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: butoxycarbonyl (2S)-2-amino-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid [butoxy(oxo)methyl] ester IUPAC Name: butoxycarbonyl (2S)-2-amino-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: (2S)-2-amino-3-(4-triflyloxyphenyl)propionic acid butoxycarbonyl ester Formula: C15H18F3NO7S MolecularWeight: 413.36613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)N

Isomeric SMILES

CCCCOC(=O)OC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)N

InChI

InChI=1S/C15H18F3NO7S/c1-2-3-8-24-14(21)25-13(20)12(19)9-10-4-6-11(7-5-10)26-27(22,23)15(16,17)18/h4-7,12H,2-3,8-9,19H2,1H3/t12-/m0/s1