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

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Systematic / IUPAC Name: 1-[(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]-3-cyclohexylurea

ID: Reference12444

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298536

Formula: C22H27N9O4

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-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 2490
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/6/2023 3:51:33 PM
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Identificators

InChI InChI=1S/C22H27N9O4/c32-21(25-14-4-2-1-3-5-14)26-17-10-33-20-18(11-34-19(17)20)31-22(27-28-29-31)35-16-8-6-15(7-9-16)30-13-23-12-24-30/h6-9,12-14,17-20H,1-5,10-11H2,(H2,25,26,32)/t17-,18-,19+,20+/m0/s1
InChI Key GQGLVGLUBUIBMG-VNTMZGSJSA-N
Canonical SMILES C1CCC(CC1)NC(=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-[[(cyclohexylamino)carbonyl]amino]-2,5-dideoxy-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298536

In Other Databases

ChemSpider 10060585
PubChem 11886262