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5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)valeric acid methyl ester
SpectraBase Compound ID 7Ym8qZ3F4If
InChI InChI=1S/C29H35F3N4O8/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,11,16-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey JZLIJJTTYDVIMO-UHFFFAOYSA-N
Mol Weight 624.6 g/mol
Molecular Formula C29H35F3N4O8
Exact Mass 624.240699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qLDJaSbO5v
Name 5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)valeric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35F3N4O8
InChI InChI=1S/C29H35F3N4O8/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,11,16-19H2,1-4H3,(H,36,40)(H2,33,34,35,38,39)
InChIKey JZLIJJTTYDVIMO-UHFFFAOYSA-N
Molecular Weight 624.614 g/mol
SMILES N(C(OC(C)(C)C)=O)C(CCCN\C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)(C(F)(F)F)C(=O)OC
SPLASH splash10-00or-0003960000-9d8563e4b4bba1cce6b4
Source of Spectrum J-66-132-7
Synonyms 5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(trifluoromethyl)pentanoic acid methyl ester Methyl 5-[bis(benzyloxycarbonylamino)methyleneamino]-2-(tert-butoxycarbonylamino)-2-(trifluoromethyl)pentanoate Methyl 5-[bis(phenylmethoxycarbonylamino)methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pentanoate
Wiley ID 1534196