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[11(2S)]-N-[4-[(tert-Butoxycarbonyl)amino]butyl]-N-(3-hydroxypropyl)-11-[2-[N-(benzyloxy)carbonyl]piperidinyl]]-9-undecenamide

View entire compound with spectra: 1 MS (GC)

[11(2S)]-N-[4-[(tert-Butoxycarbonyl)amino]butyl]-N-(3-hydroxypropyl)-11-[2-[N-(benzyloxy)carbonyl]piperidinyl]]-9-undecenamide
SpectraBase Compound ID CdztBi1VNob
InChI InChI=1S/C36H59N3O6/c1-36(2,3)45-34(42)37-25-16-18-26-38(27-19-29-40)33(41)24-14-9-7-5-4-6-8-13-22-32-23-15-17-28-39(32)35(43)44-30-31-20-11-10-12-21-31/h8,10-13,20-21,32,40H,4-7,9,14-19,22-30H2,1-3H3,(H,37,42)/b13-8+/t32-/m1/s1
InChIKey HSSHHAMTGMJRCO-MOILCHMESA-N
Mol Weight 629.9 g/mol
Molecular Formula C36H59N3O6
Exact Mass 629.440387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrjCgIMb29K
Name [11(2S)]-N-[4-[(tert-Butoxycarbonyl)amino]butyl]-N-(3-hydroxypropyl)-11-[2-[N-(benzyloxy)carbonyl]piperidinyl]]-9-undecenamide
Alternate Name(s) benzyl (2S)-2-{(2E)-11-[{4-[(tert-butoxycarbonyl)amino]butyl}(3-hydroxypropyl)amino]-11-oxo-2-undecenyl}-1-piperidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H59N3O6
InChI InChI=1S/C36H59N3O6/c1-36(2,3)45-34(42)37-25-16-18-26-38(27-19-29-40)33(41)24-14-9-7-5-4-6-8-13-22-32-23-15-17-28-39(32)35(43)44-30-31-20-11-10-12-21-31/h8,10-13,20-21,32,40H,4-7,9,14-19,22-30H2,1-3H3,(H,37,42)/b13-8+/t32-/m1/s1
InChIKey HSSHHAMTGMJRCO-MOILCHMESA-N
Molecular Weight 629.883 g/mol
SMILES OCCCN(CCCCNC(OC(C)(C)C)=O)C(CCCCCCC\C=C\C[C@]1(N(C(OCc2ccccc2)=O)CCCC1)[H])=O
SPLASH splash10-03fr-0000930000-4039071d5bb4600dc975
Source of Spectrum J-61-1028-31
Wiley ID 1412054