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

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

ID: Reference12357

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl]-, 5-[(3-cyanophenyl)carbamate];
NAT6-296458

Formula: C26H27N7O5

Spectral Data

1,4:3,6-Dianhydro-5-O-[(3-cyanophenyl)carbamoyl]-2-deoxy-2-{5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl}-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 910
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/10/2023 8:27:38 AM
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Identificators

InChI InChI=1S/C26H27N7O5/c27-13-18-2-1-3-20(12-18)28-26(34)38-22-16-37-23-21(15-36-24(22)23)33-25(29-30-31-33)19-6-4-17(5-7-19)14-32-8-10-35-11-9-32/h1-7,12,21-24H,8-11,14-16H2,(H,28,34)/t21-,22+,23+,24+/m0/s1
InChI Key JTQGMZXFMRDUJG-OLKYXYMISA-N
Canonical SMILES C1COCCN1CC2=CC=C(C=C2)C3=NN=NN3C4COC5C4OCC5OC(=O)NC6=CC=CC(=C6)C#N
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[5-[4-(4-morpholinylmethyl)phenyl]-1H-tetrazol-1-yl]-, 5-[(3-cyanophenyl)carbamate];
NAT6-296458

In Other Databases

ChemSpider 10060413
PubChem 11886090