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

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

ID: Reference12036

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(3-carboxy-1-oxopropyl)amino]-2,5-dideoxy-5-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-299639

Formula: C19H24N6O6

Spectral Data

1,4:3,6-Dianhydro-2-[(3-carboxypropanoyl)amino]-2,5-dideoxy-5-{5-[3-(dimethylamino)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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2665
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2022 12:00:45 PM
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Identificators

InChI InChI=1S/C19H24N6O6/c1-24(2)11-4-3-5-12(8-11)31-19-21-22-23-25(19)14-10-30-17-13(9-29-18(14)17)20-15(26)6-7-16(27)28/h3-5,8,13-14,17-18H,6-7,9-10H2,1-2H3,(H,20,26)(H,27,28)/t13-,14-,17+,18+/m0/s1
InChI Key DQXQLATVVBXBPZ-LBTBCDHLSA-N
Canonical SMILES CN(C)C1=CC(=CC=C1)OC2=NN=NN2C3COC4C3OCC4NC(=O)CCC(=O)O
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(3-carboxy-1-oxopropyl)amino]-2,5-dideoxy-5-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-299639

In Other Databases

PubChem 11879672
ChemSpider 10054000