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

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

ID: Reference11256

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(2,2-dimethyl-1-oxopropyl)amino]-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540351

Formula: C21H27FN2O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(2,2-dimethylpropanoyl)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 1776
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/4/2022 10:14:14 AM
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Identificators

InChI InChI=1S/C21H27FN2O4/c1-21(2,3)20(26)23-12-19-17(25)9-8-16(27-19)10-15-11-18(28-24-15)13-4-6-14(22)7-5-13/h4-7,11,16-17,19,25H,8-10,12H2,1-3H3,(H,23,26)/t16-,17-,19+/m0/s1
InChI Key SWVKHGULBRBJNN-JENIJYKNSA-N
Canonical SMILES CC(C)(C)C(=O)NCC1C(CCC(O1)CC2=NOC(=C2)C3=CC=C(C=C3)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(2,2-dimethyl-1-oxopropyl)amino]-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540351

In Other Databases

ChemSpider 29856491
PubChem 75536243