1,4:3,6-Dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(phenoxyacetyl)amino]-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-6-[5-(1,3-Benzodioxol-5-yl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-phenoxyacetamide

ID: Reference9201

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(2-phenoxyacetyl)amino]-;
NAT6-307061

Formula: C22H21N5O6

Spectral Data

1,4:3,6-Dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(phenoxyacetyl)amino]-L-iditol 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 4986
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/9/2019 10:10:15 AM
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Identificators

InChI InChI=1S/C22H21N5O6/c28-19(11-29-14-4-2-1-3-5-14)23-15-9-30-21-16(10-31-20(15)21)27-22(24-25-26-27)13-6-7-17-18(8-13)33-12-32-17/h1-8,15-16,20-21H,9-12H2,(H,23,28)/t15-,16-,20+,21+/m0/s1
InChI Key NPNPHQNSPKVQQM-LVNJIZSUSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)C4=CC5=C(C=C4)OCO5)NC(=O)COC6=CC=CC=C6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[5-(1,3-benzodioxol-5-yl)-1H-tetrazol-1-yl]-2,5-dideoxy-5-[(2-phenoxyacetyl)amino]-;
NAT6-307061

In Other Databases

ChemSpider 10061564
PubChem 11887241