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IMZLCFRFSMVVRF-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR, and 1 MS (GC)

IMZLCFRFSMVVRF-UHFFFAOYSA-N
SpectraBase Compound ID GyFuBIe8J3p
InChI InChI=1S/C26H33F3N4O8/c1-23(2,3)40-20(35)31-19(32-21(36)41-24(4,5)6)30-15-11-14-25(18(34)38-7,26(27,28)29)33-22(37)39-16-17-12-9-8-10-13-17/h8-10,12-13H,15-16H2,1-7H3,(H,33,37)(H2,30,31,32,35,36)
InChIKey IMZLCFRFSMVVRF-UHFFFAOYSA-N
Mol Weight 586.6 g/mol
Molecular Formula C26H33F3N4O8
Exact Mass 586.225049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YffH8gUWKa
Name N-Benzyloxycarbonyl-.alpha.-(trifluoromethyl)-N',N"-bis(tert-butoxycarbonyl)didehydroarginine methyl ester
Alternate Name(s) 5-[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)-3-pentynoic acid methyl ester Methyl 2-(benzyloxycarbonylamino)-5-[bis(tert-butoxycarbonylamino)methyleneamino]-2-(trifluoromethyl)pent-3-ynoate Methyl 5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-3-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33F3N4O8
InChI InChI=1S/C26H33F3N4O8/c1-23(2,3)40-20(35)31-19(32-21(36)41-24(4,5)6)30-15-11-14-25(18(34)38-7,26(27,28)29)33-22(37)39-16-17-12-9-8-10-13-17/h8-10,12-13H,15-16H2,1-7H3,(H,33,37)(H2,30,31,32,35,36)
InChIKey IMZLCFRFSMVVRF-UHFFFAOYSA-N
Molecular Weight 586.565 g/mol
SMILES N(C(C#CCN\C(=N/C(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)(C(F)(F)F)C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-001i-0039000000-5dc8d9b7f9454c7ebc6e
Source of Spectrum J-66-132-9
Wiley ID 1534201