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

enlarge

Systematic / IUPAC Name: 2-[2-[[(3S,3aR,6S,6aR)-6-[5-(3-Morpholin-4-ylphenoxy)tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-2-oxoethyl]sulfanylacetic acid

ID: Reference12346

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-5-[5-[3-(4-morpholinyl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-299682

Formula: C21H26N6O7S

Spectral Data

1,4:3,6-Dianhydro-2-({[(carboxymethyl)sulfanyl]acetyl}amino)-2,5-dideoxy-5-{5-[3-(4-morpholinyl)phenoxy]-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2079
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2023 11:45:41 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H26N6O7S/c28-17(11-35-12-18(29)30)22-15-9-32-20-16(10-33-19(15)20)27-21(23-24-25-27)34-14-3-1-2-13(8-14)26-4-6-31-7-5-26/h1-3,8,15-16,19-20H,4-7,9-12H2,(H,22,28)(H,29,30)/t15-,16-,19+,20+/m0/s1
InChI Key LLNALGIWSQKEIK-XAMWDVODSA-N
Canonical SMILES C1COCCN1C2=CC(=CC=C2)OC3=NN=NN3C4COC5C4OCC5NC(=O)CSCC(=O)O
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-5-[5-[3-(4-morpholinyl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-299682

In Other Databases

ChemSpider 10054018
PubChem 11879690