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5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoic acid methyl ester
SpectraBase Compound ID GWbsnRxX5Zi
InChI InChI=1S/C29H31F3N4O8/c1-27(2,3)44-26(40)36-28(22(37)41-4,29(30,31)32)16-11-17-33-23(34-24(38)42-18-20-12-7-5-8-13-20)35-25(39)43-19-21-14-9-6-10-15-21/h5-10,12-15H,17-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey QHLSOQNFIGWCOI-UHFFFAOYSA-N
Mol Weight 620.58 g/mol
Molecular Formula C29H31F3N4O8
Exact Mass 620.209398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HO9SoAOXeO
Name N-(tert-Butoxycarbonyl)-.alpha.-(trifluoromethyl)-N',N"-bis(benzyloxycarbonyl)didehydroarginine methyl ester
Alternate Name(s) 5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(trifluoromethyl)-3-pentynoic acid methyl ester Methyl 5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoate Methyl 5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pent-3-ynoate
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Formula C29H31F3N4O8
InChI InChI=1S/C29H31F3N4O8/c1-27(2,3)44-26(40)36-28(22(37)41-4,29(30,31)32)16-11-17-33-23(34-24(38)42-18-20-12-7-5-8-13-20)35-25(39)43-19-21-14-9-6-10-15-21/h5-10,12-15H,17-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey QHLSOQNFIGWCOI-UHFFFAOYSA-N
Molecular Weight 620.582 g/mol
SMILES N(C(OC(C)(C)C)=O)C(C#CCN\C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)(C(F)(F)F)C(=O)OC
SPLASH splash10-014i-0000090000-5699e182971f573bbc76
Source of Spectrum J-66-132-9
Wiley ID 1534200