methyl (2S)-3-[3-bromanyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[3-bromanyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[3-bromo-4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[3-bromo-4-[(2,2,2-trifluoroacetyl)amino]phenyl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C17H20BrF3N2O5 MolecularWeight: 469.25031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)NC(=O)C(F)(F)F)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)NC(=O)C(F)(F)F)Br)C(=O)OC

InChI

InChI=1S/C17H20BrF3N2O5/c1-16(2,3)28-15(26)23-12(13(24)27-4)8-9-5-6-11(10(18)7-9)22-14(25)17(19,20)21/h5-7,12H,8H2,1-4H3,(H,22,25)(H,23,26)/t12-/m0/s1