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

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

ID: Reference12356

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2-deoxy-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-270091

Formula: C27H24N4O6

Spectral Data

1,4:3,6-Dianhydro-2-{[(3-cyanophenyl)carbamoyl]amino}-2-deoxy-5-O-[(4-phenoxyphenyl)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 2635
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/10/2023 8:26:47 AM
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Identificators

InChI InChI=1S/C27H24N4O6/c28-14-17-5-4-6-19(13-17)29-26(32)31-22-15-34-25-23(16-35-24(22)25)37-27(33)30-18-9-11-21(12-10-18)36-20-7-2-1-3-8-20/h1-13,22-25H,15-16H2,(H,30,33)(H2,29,31,32)/t22-,23+,24+,25+/m0/s1
InChI Key DPROQLCDEIWSPZ-ZYQDXHPFSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC(=O)NC5=CC=CC(=C5)C#N
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2-deoxy-, 5-[(4-phenoxyphenyl)carbamate];
NAT6-270091

In Other Databases

PubChem 11884036
ChemSpider 10058364