1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-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-[3-(trifluoromethyl)phenyl]urea

ID: Reference12455

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-298539

Formula: C23H20F3N9O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)-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 2210
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2023 11:52:40 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H20F3N9O4/c24-23(25,26)13-2-1-3-14(8-13)29-21(36)30-17-9-37-20-18(10-38-19(17)20)35-22(31-32-33-35)39-16-6-4-15(5-7-16)34-12-27-11-28-34/h1-8,11-12,17-20H,9-10H2,(H2,29,30,36)/t17-,18-,19+,20+/m0/s1
InChI Key XZGQAKYBLRYONU-VNTMZGSJSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC=C(C=C4)N5C=NC=N5)NC(=O)NC6=CC=CC(=C6)C(F)(F)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-298539

In Other Databases

PubChem 11886263
ChemSpider 10060586