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

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

ID: Reference11045

Other Names: D-Glucitol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2-deoxy-, 5-(cyclohexylcarbamate);
NAT6-269712

Formula: C22H29N3O6

Spectral Data

2-{[(4-Acetylphenyl)carbamoyl]amino}-1,4:3,6-dianhydro-5-O-(cyclohexylcarbamoyl)-2-deoxy-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 1146
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2021 12:20:03 PM
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Identificators

InChI InChI=1S/C22H29N3O6/c1-13(26)14-7-9-16(10-8-14)23-21(27)25-17-11-29-20-18(12-30-19(17)20)31-22(28)24-15-5-3-2-4-6-15/h7-10,15,17-20H,2-6,11-12H2,1H3,(H,24,28)(H2,23,25,27)/t17-,18+,19+,20+/m0/s1
InChI Key WRPUVJMMJWQOFS-MTQWCTHYSA-N
Canonical SMILES CC(=O)C1=CC=C(C=C1)NC(=O)NC2COC3C2OCC3OC(=O)NC4CCCCC4
CAS
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Other Names D-Glucitol, 2-[[[(4-acetylphenyl)amino]carbonyl]amino]-1,4:3,6-dianhydro-2-deoxy-, 5-(cyclohexylcarbamate);
NAT6-269712

In Other Databases

PubChem 40586239
ChemSpider 21384134