1,4:3,6-Dianhydro-2-[5-(4-biphenylyl)-1H-tetrazol-1-yl]-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[5-(4-Phenylphenyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(3-cyanophenyl)carbamate

ID: Reference12506

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-(5-[1,1'-biphenyl]-4-yl-1H-tetrazol-1-yl)-2-deoxy-, 5-[(3-cyanophenyl)carbamate];
NAT6-296422

Formula: C27H22N6O4

Spectral Data

1,4:3,6-Dianhydro-2-[5-(4-biphenylyl)-1H-tetrazol-1-yl]-5-O-[(3-cyanophenyl)carbamoyl]-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 1560
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 11:52:44 AM
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Identificators

InChI InChI=1S/C27H22N6O4/c28-14-17-5-4-8-21(13-17)29-27(34)37-23-16-36-24-22(15-35-25(23)24)33-26(30-31-32-33)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,22-25H,15-16H2,(H,29,34)/t22-,23+,24+,25+/m0/s1
InChI Key MNTSPJPBAIKZCP-ZYQDXHPFSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)OC(=O)NC3=CC=CC(=C3)C#N)N4C(=NN=N4)C5=CC=C(C=C5)C6=CC=CC=C6
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-(5-[1,1'-biphenyl]-4-yl-1H-tetrazol-1-yl)-2-deoxy-, 5-[(3-cyanophenyl)carbamate];
NAT6-296422

In Other Databases

ChemSpider 10060400
PubChem 11886077