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

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[(4-Propan-2-ylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-[3-(trifluoromethyl)phenyl]carbamate

ID: Reference9581

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[[4-(1-methylethyl)phenyl]amino]carbonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269895

Formula: C24H26F3N3O5

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-2-{[(4-isopropylphenyl)carbamoyl]amino}-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 3460
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2020 7:32:29 AM
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Identificators

InChI InChI=1S/C24H26F3N3O5/c1-13(2)14-6-8-16(9-7-14)28-22(31)30-18-11-33-21-19(12-34-20(18)21)35-23(32)29-17-5-3-4-15(10-17)24(25,26)27/h3-10,13,18-21H,11-12H2,1-2H3,(H,29,32)(H2,28,30,31)/t18-,19+,20+,21+/m0/s1
InChI Key MWFWBCODKUCMOV-DOIPELPJSA-N
Canonical SMILES CC(C)C1=CC=C(C=C1)NC(=O)NC2COC3C2OCC3OC(=O)NC4=CC=CC(=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[[4-(1-methylethyl)phenyl]amino]carbonyl]amino]-, 5-[[3-(trifluoromethyl)phenyl]carbamate];
NAT6-269895

In Other Databases

PubChem 11883402
ChemSpider 10057730