(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(4-fluorobenzoyl)amino]-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: 4-Fluoro-N-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]benzamide

ID: Reference12551

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(4-fluorobenzoyl)amino]-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540345

Formula: C23H22F2N2O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(4-fluorobenzoyl)amino]-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol 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 2489
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/26/2023 1:09:27 PM
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Identificators

InChI InChI=1S/C23H22F2N2O4/c24-16-5-1-14(2-6-16)21-12-18(27-31-21)11-19-9-10-20(28)22(30-19)13-26-23(29)15-3-7-17(25)8-4-15/h1-8,12,19-20,22,28H,9-11,13H2,(H,26,29)/t19-,20-,22+/m0/s1
InChI Key FZISPELVYDQIRU-JAXLGGSGSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)C3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)F)O
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(4-fluorobenzoyl)amino]-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540345

In Other Databases

PubChem 75366943
ChemSpider 29856488