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

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

ID: Reference12437

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[[4-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-269713

Formula: C21H26F3N3O5

Spectral Data

1,4:3,6-Dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-2-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)-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 1278
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/6/2023 12:29:42 PM
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Identificators

InChI InChI=1S/C21H26F3N3O5/c22-21(23,24)12-6-8-14(9-7-12)25-19(28)27-15-10-30-18-16(11-31-17(15)18)32-20(29)26-13-4-2-1-3-5-13/h6-9,13,15-18H,1-5,10-11H2,(H,26,29)(H2,25,27,28)/t15-,16+,17+,18+/m0/s1
InChI Key AVGNATUGPQJVRY-BSDSXHPESA-N
Canonical SMILES C1CCC(CC1)NC(=O)OC2COC3C2OCC3NC(=O)NC4=CC=C(C=C4)C(F)(F)F
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[[4-(trifluoromethyl)phenyl]amino]carbonyl]amino]-, 5-(cyclohexylcarbamate);
NAT6-269713

In Other Databases

PubChem 11883359
ChemSpider 10057687