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

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-6-[5-[4-(1,2,4-Triazol-1-yl)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-methylbenzamide

ID: Reference12484

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[(4-methylbenzoyl)amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298529

Formula: C23H22N8O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-[(4-methylbenzoyl)amino]-5-{5-[4-(1H-1,2,4-triazol-1-yl)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 2094
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2023 1:36:22 PM
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Identificators

InChI InChI=1S/C23H22N8O4/c1-14-2-4-15(5-3-14)22(32)26-18-10-33-21-19(11-34-20(18)21)31-23(27-28-29-31)35-17-8-6-16(7-9-17)30-13-24-12-25-30/h2-9,12-13,18-21H,10-11H2,1H3,(H,26,32)/t18-,19-,20+,21+/m0/s1
InChI Key KCDVLCYKRJNIPC-UWHLTILDSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)NC2COC3C2OCC3N4C(=NN=N4)OC5=CC=C(C=C5)N6C=NC=N6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[(4-methylbenzoyl)amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298529

In Other Databases

PubChem 11886259
ChemSpider 10060582