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

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Systematic / IUPAC Name: 2-[[(3S,3aR,6S,6aR)-6-[5-(3-Methoxyphenyl)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoic acid

ID: Reference12239

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-[5-(3-methoxyphenyl)-1H-tetrazol-1-yl]-;
NAT6-307223

Formula: C22H21N5O6

Spectral Data

1,4:3,6-Dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-[5-(3-methoxyphenyl)-1H-tetrazol-1-yl]-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
No. of Spectral Trees 1
No. of Spectra 2150
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:15:01 PM
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Identificators

InChI InChI=1S/C22H21N5O6/c1-31-13-6-4-5-12(9-13)20-24-25-26-27(20)17-11-33-18-16(10-32-19(17)18)23-21(28)14-7-2-3-8-15(14)22(29)30/h2-9,16-19H,10-11H2,1H3,(H,23,28)(H,29,30)/t16-,17-,18+,19+/m0/s1
InChI Key WFHNDELAFXKTND-INDMIFKZSA-N
Canonical SMILES COC1=CC=CC(=C1)C2=NN=NN2C3COC4C3OCC4NC(=O)C5=CC=CC=C5C(=O)O
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-[5-(3-methoxyphenyl)-1H-tetrazol-1-yl]-;
NAT6-307223

In Other Databases

ChemSpider 10061641
PubChem 11887318