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

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

ID: Reference12355

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[(4-phenoxyphenyl)amino]carbonyl]amino]-, 5-(ethylcarbamate);
NAT6-270478

Formula: C22H25N3O6

Spectral Data

1,4:3,6-Dianhydro-2-deoxy-5-O-(ethylcarbamoyl)-2-{[(4-phenoxyphenyl)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 2385
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/10/2023 8:24:14 AM
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Identificators

InChI InChI=1S/C22H25N3O6/c1-2-23-22(27)31-18-13-29-19-17(12-28-20(18)19)25-21(26)24-14-8-10-16(11-9-14)30-15-6-4-3-5-7-15/h3-11,17-20H,2,12-13H2,1H3,(H,23,27)(H2,24,25,26)/t17-,18+,19+,20+/m0/s1
InChI Key PXQITYCQBOOYGL-MTQWCTHYSA-N
Canonical SMILES CCNC(=O)OC1COC2C1OCC2NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[(4-phenoxyphenyl)amino]carbonyl]amino]-, 5-(ethylcarbamate);
NAT6-270478

In Other Databases

PubChem 11884130
ChemSpider 10058458