5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)valeric acid ethyl ester

SpectraBase Compound ID	BYEYE829AE1
InChI	InChI=1S/C30H38F2N4O8/c1-5-41-24(37)30(23(31)32,36-28(40)44-29(2,3)4)17-12-18-33-25(34-26(38)42-19-21-13-8-6-9-14-21)35-27(39)43-20-22-15-10-7-11-16-22/h6-11,13-16,23H,5,12,17-20H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey	UGHRIKWJOKWERP-UHFFFAOYSA-N Google Search
Mol Weight	620.7 g/mol
Molecular Formula	C30H38F2N4O8
Exact Mass	620.265771 g/mol

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SpectraBase Spectrum ID	5EElq30Hs3d
Name	5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)valeric acid ethyl ester
Alternate Name(s)	5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-(difluoromethyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid ethyl ester Ethyl 2-[bis(fluoranyl)methyl]-5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Ethyl 5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pentanoate Ethyl 5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H38F2N4O8
InChI	InChI=1S/C30H38F2N4O8/c1-5-41-24(37)30(23(31)32,36-28(40)44-29(2,3)4)17-12-18-33-25(34-26(38)42-19-21-13-8-6-9-14-21)35-27(39)43-20-22-15-10-7-11-16-22/h6-11,13-16,23H,5,12,17-20H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey	UGHRIKWJOKWERP-UHFFFAOYSA-N
Molecular Weight	620.651 g/mol
SMILES	N(C(OC(C)(C)C)=O)C(CCCN\C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)(C(=O)OCC)C(F)F
SPLASH	splash10-03e9-0001090000-0a9a2baa40d8d14f5ea0
Source of Spectrum	J-66-132-7
Wiley ID	1534195