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

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

ID: Reference12218

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-3,3-dimethyl-1-oxobutyl)amino]-2,5-dideoxy-5-[5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-;
NAT6-299470

Formula: C22H30N6O5

Spectral Data

1,4:3,6-Dianhydro-2-[(4-carboxy-3,3-dimethylbutanoyl)amino]-2,5-dideoxy-5-{5-[4-(dimethylamino)phenyl]-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 2710
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2023 9:12:08 AM
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Identificators

InChI InChI=1S/C22H30N6O5/c1-22(2,10-18(30)31)9-17(29)23-15-11-32-20-16(12-33-19(15)20)28-21(24-25-26-28)13-5-7-14(8-6-13)27(3)4/h5-8,15-16,19-20H,9-12H2,1-4H3,(H,23,29)(H,30,31)/t15-,16-,19+,20+/m0/s1
InChI Key UJJKLUXHTDVRIF-XAMWDVODSA-N
Canonical SMILES CC(C)(CC(=O)NC1COC2C1OCC2N3C(=NN=N3)C4=CC=C(C=C4)N(C)C)CC(=O)O
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-3,3-dimethyl-1-oxobutyl)amino]-2,5-dideoxy-5-[5-[4-(dimethylamino)phenyl]-1H-tetrazol-1-yl]-;
NAT6-299470

In Other Databases

PubChem 11879670
ChemSpider 10053998