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

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Systematic / IUPAC Name: 1-[[(2R,3S,4R,5S)-3,4-Dihydroxy-5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]oxolan-2-yl]methyl]-3-propan-2-ylurea

ID: Reference12364

Other Names: D-Allitol, 2,5-anhydro-1,6-dideoxy-6-[[[(1-methylethyl)amino]carbonyl]amino]-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350908

Formula: C19H23F3N4O6

Spectral Data

2,5-Anhydro-1,6-dideoxy-6-[(isopropylcarbamoyl)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 1397
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 12:13:11 PM
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Identificators

InChI InChI=1S/C19H23F3N4O6/c1-9(2)24-18(29)23-8-13-16(28)15(27)12(30-13)7-14-25-17(26-32-14)10-3-5-11(6-4-10)31-19(20,21)22/h3-6,9,12-13,15-16,27-28H,7-8H2,1-2H3,(H2,23,24,29)/t12-,13+,15-,16+/m0/s1
InChI Key FLDKVHPHIWCDLV-LQKXBSAESA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(C(O1)CC2=NC(=NO2)C3=CC=C(C=C3)OC(F)(F)F)O)O
CAS
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Other Names D-Allitol, 2,5-anhydro-1,6-dideoxy-6-[[[(1-methylethyl)amino]carbonyl]amino]-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-;
NAT19-350908

In Other Databases

ChemSpider 21386993
PubChem 25390149