tert-butyl 2-[4-[bis(fluoranyl)methyl]-2-methoxy-phenyl]sulfanyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[4-[bis(fluoranyl)methyl]-2-methoxy-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-[4-(difluoromethyl)-2-methoxy-phenyl]sulfanyl-acetate CAS Name: 2-[[4-(difluoromethyl)-2-methoxyphenyl]thio]-2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(difluoromethyl)-2-methoxyphenyl]sulfanyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-[[4-(difluoromethyl)-2-methoxy-phenyl]thio]acetic acid tert-butyl ester Formula: C22H32F2N2O6S MolecularWeight: 490.561086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C(=O)OC(C)(C)C)SC1=C(C=C(C=C1)C(F)F)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC(C(=O)OC(C)(C)C)SC1=C(C=C(C=C1)C(F)F)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H32F2N2O6S/c1-12(25-20(29)32-22(5,6)7)17(27)26-18(19(28)31-21(2,3)4)33-15-10-9-13(16(23)24)11-14(15)30-8/h9-12,16,18H,1-8H3,(H,25,29)(H,26,27)/t12-,18?/m1/s1