1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-2,5-dideoxy-5-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[[4-(3-Fluorophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]cyclohexanecarboxamide

ID: Reference8954

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(cyclohexylcarbonyl)amino]-2,5-dideoxy-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324245

Formula: C23H27FN4O3

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbonyl)amino]-2,5-dideoxy-5-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 4391
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:34:27 AM
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Identificators

InChI InChI=1S/C23H27FN4O3/c24-16-8-4-7-15(11-16)17-9-10-25-23(27-17)28-19-13-31-20-18(12-30-21(19)20)26-22(29)14-5-2-1-3-6-14/h4,7-11,14,18-21H,1-3,5-6,12-13H2,(H,26,29)(H,25,27,28)/t18-,19-,20+,21+/m0/s1
InChI Key QLACUKYQQGKACW-UWHLTILDSA-N
Canonical SMILES C1CCC(CC1)C(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC(=CC=C5)F
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(cyclohexylcarbonyl)amino]-2,5-dideoxy-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324245

In Other Databases

PubChem 11941298
ChemSpider 10115617