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

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Systematic / IUPAC Name: 4-[[(3S,3aR,6S,6aR)-6-[5-(1,3-Benzodioxol-5-yloxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-4-oxobutanoic acid

ID: Reference8837

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[5-(1,3-benzodioxol-5-yloxy)-1H-tetrazol-1-yl]-5-[(3-carboxy-1-oxopropyl)amino]-2,5-dideoxy-;
NAT6-299654

Formula: C18H19N5O8

Spectral Data

1,4:3,6-Dianhydro-2-[5-(1,3-benzodioxol-5-yloxy)-1H-tetrazol-1-yl]-5-[(3-carboxypropanoyl)amino]-2,5-dideoxy-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 1
No. of Spectra 2499
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 8/12/2019 7:06:07 AM
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Identificators

InChI InChI=1S/C18H19N5O8/c24-14(3-4-15(25)26)19-10-6-27-17-11(7-28-16(10)17)23-18(20-21-22-23)31-9-1-2-12-13(5-9)30-8-29-12/h1-2,5,10-11,16-17H,3-4,6-8H2,(H,19,24)(H,25,26)/t10-,11-,16+,17+/m0/s1
InChI Key OBVKJBUEYYJOEE-BNBDDXAPSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC5=C(C=C4)OCO5)NC(=O)CCC(=O)O
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[5-(1,3-benzodioxol-5-yloxy)-1H-tetrazol-1-yl]-5-[(3-carboxy-1-oxopropyl)amino]-2,5-dideoxy-;
NAT6-299654

In Other Databases

PubChem 11886303
ChemSpider 10060626