1,4:3,6-Dianhydro-2-[5-(1,3-benzodioxol-5-yloxy)-1H-tetrazol-1-yl]-5-({[(carboxymethyl)sulfanyl]acetyl}amino)-2,5-dideoxy-L-iditol

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Systematic / IUPAC Name: 2-[2-[[(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]-2-oxoethyl]sulfanylacetic acid

ID: Reference13092

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[5-(1,3-benzodioxol-5-yloxy)-1H-tetrazol-1-yl]-5-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-;
NAT6-299667

Formula: C18H19N5O8S

Spectral Data

1,4:3,6-Dianhydro-2-[5-(1,3-benzodioxol-5-yloxy)-1H-tetrazol-1-yl]-5-({[(carboxymethyl)sulfanyl]acetyl}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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2071
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/5/2024 12:50:57 PM
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Identificators

InChI InChI=1S/C18H19N5O8S/c24-14(6-32-7-15(25)26)19-10-4-27-17-11(5-28-16(10)17)23-18(20-21-22-23)31-9-1-2-12-13(3-9)30-8-29-12/h1-3,10-11,16-17H,4-8H2,(H,19,24)(H,25,26)/t10-,11-,16+,17+/m0/s1
InChI Key GFJWAYHRGQFKAX-BNBDDXAPSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC5=C(C=C4)OCO5)NC(=O)CSCC(=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-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-;
NAT6-299667

In Other Databases

PubChem 11886313
ChemSpider 10060636