2,5-Anhydro-1,6-dideoxy-6-[(5-methoxy-3,3-dimethyl-5-oxopentanoyl)amino]-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol

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Systematic / IUPAC Name: Methyl 5-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]oxolan-2-yl]methylamino]-3,3-dimethyl-5-oxopentanoate

ID: Reference12365

Other Names: D-Allitol, 2,5-anhydro-1,6-dideoxy-6-[(5-methoxy-3,3-dimethyl-1,5-dioxopentyl)amino]-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350914

Formula: C23H28F3N3O8

Spectral Data

2,5-Anhydro-1,6-dideoxy-6-[(5-methoxy-3,3-dimethyl-5-oxopentanoyl)amino]-1-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-D-allitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2082
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 12:24:53 PM
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Identificators

InChI InChI=1S/C23H28F3N3O8/c1-22(2,10-18(31)34-3)9-16(30)27-11-15-20(33)19(32)14(35-15)8-17-28-21(29-37-17)12-4-6-13(7-5-12)36-23(24,25)26/h4-7,14-15,19-20,32-33H,8-11H2,1-3H3,(H,27,30)/t14-,15+,19-,20+/m0/s1
InChI Key SMDZFOXZCVCQJE-IDENBPMYSA-N
Canonical SMILES CC(C)(CC(=O)NCC1C(C(C(O1)CC2=NC(=NO2)C3=CC=C(C=C3)OC(F)(F)F)O)O)CC(=O)OC
CAS
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Other Names D-Allitol, 2,5-anhydro-1,6-dideoxy-6-[(5-methoxy-3,3-dimethyl-1,5-dioxopentyl)amino]-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350914

In Other Databases

ChemSpider 21386998
PubChem 44716549