1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2-deoxy-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-(Benzylcarbamoylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference9597

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[(phenylmethyl)amino]carbonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269909

Formula: C22H22F3N3O5

Spectral Data

1,4:3,6-Dianhydro-2-[(benzylcarbamoyl)amino]-2-deoxy-5-O-{[3-(trifluoromethyl)phenyl]carbamoyl}-D-glucitol 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 2339
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 7:48:44 AM
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Identificators

InChI InChI=1S/C22H22F3N3O5/c23-22(24,25)14-7-4-8-15(9-14)27-21(30)33-17-12-32-18-16(11-31-19(17)18)28-20(29)26-10-13-5-2-1-3-6-13/h1-9,16-19H,10-12H2,(H,27,30)(H2,26,28,29)/t16-,17+,18+,19+/m0/s1
InChI Key SJRPGFCTGNXXRD-WJFTUGDTSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC(=C3)C(F)(F)F)NC(=O)NCC4=CC=CC=C4
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[(phenylmethyl)amino]carbonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269909

In Other Databases

PubChem 11883407
ChemSpider 10057735