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2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoic acid methyl ester
SpectraBase Compound ID L8S56NlFuxg
InChI InChI=1S/C26H34F2N4O8/c1-24(2,3)39-21(34)30-20(31-22(35)40-25(4,5)6)29-15-11-14-26(18(27)28,19(33)37-7)32-23(36)38-16-17-12-9-8-10-13-17/h8-10,12-13,18H,15-16H2,1-7H3,(H,32,36)(H2,29,30,31,34,35)
InChIKey JLNLJXQFGQWNQH-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C26H34F2N4O8
Exact Mass 568.23447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5zw1OIvB6L
Name 2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoic acid methyl ester
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Formula C26H34F2N4O8
InChI InChI=1S/C26H34F2N4O8/c1-24(2,3)39-21(34)30-20(31-22(35)40-25(4,5)6)29-15-11-14-26(18(27)28,19(33)37-7)32-23(36)38-16-17-12-9-8-10-13-17/h8-10,12-13,18H,15-16H2,1-7H3,(H,32,36)(H2,29,30,31,34,35)
InChIKey JLNLJXQFGQWNQH-UHFFFAOYSA-N
Molecular Weight 568.575 g/mol
SMILES N(C(C#CCN\C(=N/C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)(C(=O)OC)C(F)F)C(=O)OCc1ccccc1
SPLASH splash10-014r-0109000000-0be8955d415c77dcd67c
Source of Spectrum J-66-132-9
Synonyms 5-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-2-(difluoromethyl)-2-(phenylmethoxycarbonylamino)-3-pentynoic acid methyl ester Methyl 2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(difluoromethyl)pent-3-ynoate Methyl 2-[bis(fluoranyl)methyl]-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(phenylmethoxycarbonylamino)pent-3-ynoate Methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(difluoromethyl)-2-(phenylmethoxycarbonylamino)pent-3-ynoate
Wiley ID 1534198