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5-Undecenedioic acid, 5-[[[6-methoxy-6-oxo-5-[(trifluoroacetyl)amino]-2-[(trifluoroacetyl)oxy]hexyl](trifluoroacetyl)amino]methyl]-2,10-bis[(trifluoroacetyl)amino]-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

5-Undecenedioic acid, 5-[[[6-methoxy-6-oxo-5-[(trifluoroacetyl)amino]-2-[(trifluoroacetyl)oxy]hexyl](trifluoroacetyl)amino]methyl]-2,10-bis[(trifluoroacetyl)amino]-, dimethyl ester
SpectraBase Compound ID JpIbjFl4MPr
InChI InChI=1S/C31H35F15N4O12/c1-59-19(51)16(47-22(54)27(32,33)34)7-5-4-6-14(8-10-17(20(52)60-2)48-23(55)28(35,36)37)12-50(25(57)30(41,42)43)13-15(62-26(58)31(44,45)46)9-11-18(21(53)61-3)49-24(56)29(38,39)40/h6,15-18H,4-5,7-13H2,1-3H3,(H,47,54)(H,48,55)(H,49,56)/b14-6+
InChIKey CXLYXFXICRQBBJ-MKMNVTDBSA-N
Mol Weight 940.6 g/mol
Molecular Formula C31H35F15N4O12
Exact Mass 940.201195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nDSyoxEBBM
Name 5-Undecenedioic acid, 5-[[[6-methoxy-6-oxo-5-[(trifluoroacetyl)amino]-2-[(trifluoroacetyl)oxy]hexyl](trifluoroacetyl)amino]methyl]-2,10-bis[(trifluoroacetyl)amino]-, dimethyl ester
CAS Registry Number 59275-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H35F15N4O12
InChI InChI=1S/C31H35F15N4O12/c1-59-19(51)16(47-22(54)27(32,33)34)7-5-4-6-14(8-10-17(20(52)60-2)48-23(55)28(35,36)37)12-50(25(57)30(41,42)43)13-15(62-26(58)31(44,45)46)9-11-18(21(53)61-3)49-24(56)29(38,39)40/h6,15-18H,4-5,7-13H2,1-3H3,(H,47,54)(H,48,55)(H,49,56)/b14-6+
InChIKey CXLYXFXICRQBBJ-MKMNVTDBSA-N
Molecular Weight 940.613 g/mol
SMILES N(C(CC\C(CN(CC(CCC(NC(=O)C(F)(F)F)C(=O)OC)OC(=O)C(F)(F)F)C(=O)C(F)(F)F)=C\CCCC(C(OC)=O)NC(=O)C(F)(F)F)C(=O)OC)C(=O)C(F)(F)F
SPLASH splash10-0w30-0019126000-2373c1fb2bb30181c555
Source of Spectrum AB-310-133-3
Synonyms Methyl 2,3,4,6-tetradeoxy-6-[((2E)-8-methoxy-2-(4-methoxy-4-oxo-3-[(trifluoroacetyl)amino]butyl)-8-oxo-7-[(trifluoroacetyl)amino]-2-octenyl)(trifluoroacetyl)amino]-5-O-(trifluoroacetyl)-2-[(trifluoroa (E)-5-[[[6-keto-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]-2-(2,2,2-trifluoroacetyl)oxy-hexyl]-(2,2,2-trifluoroacetyl)amino]methyl]-2,10-bis[(2,2,2-trifluoroacetyl)amino]undec-5-enedioic acid dimethyl ester (E)-5-[[[6-methoxy-6-oxo-2-(2,2,2-trifluoro-1-oxoethoxy)-5-[(2,2,2-trifluoro-1-oxoethyl)amino]hexyl]-(2,2,2-trifluoro-1-oxoethyl)amino]methyl]-2,10-bis[(2,2,2-trifluoro-1-oxoethyl)amino]-5-undecenedioic acid dimethyl ester Dimethyl (E)-5-[[[6-methoxy-6-oxidanylidene-5-[2,2,2-tris(fluoranyl)ethanoylamino]-2-[2,2,2-tris(fluoranyl)ethanoyloxy]hexyl]-[2,2,2-tris(fluoranyl)ethanoyl]amino]methyl]-2,10-bis[2,2,2-tris(fluoranyl)ethanoylamino]undec-5-enedioate Dimethyl (E)-5-[[[6-methoxy-6-oxo-5-[(2,2,2-trifluoroacetyl)amino]-2-(2,2,2-trifluoroacetyl)oxy-hexyl]-(2,2,2-trifluoroacetyl)amino]methyl]-2,10-bis[(2,2,2-trifluoroacetyl)amino]undec-5-enedioate
Wiley ID 1418203