tert-butyl 2-[2-[bis(fluoranyl)methyl]phenyl]sulfanyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[2-[bis(fluoranyl)methyl]phenyl]sulfanyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2R)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-[2-(difluoromethyl)phenyl]sulfanyl-acetate CAS Name: 2-[[2-(difluoromethyl)phenyl]thio]-2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(difluoromethyl)phenyl]sulfanyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-[[2-(difluoromethyl)phenyl]thio]acetic acid tert-butyl ester Formula: C21H30F2N2O5S MolecularWeight: 460.535106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)OC(C)(C)C)SC1=CC=CC=C1C(F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC(C(=O)OC(C)(C)C)SC1=CC=CC=C1C(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30F2N2O5S/c1-12(24-19(28)30-21(5,6)7)16(26)25-17(18(27)29-20(2,3)4)31-14-11-9-8-10-13(14)15(22)23/h8-12,15,17H,1-7H3,(H,24,28)(H,25,26)/t12-,17?/m1/s1