(1S)-1,5-Anhydro-6-[(cyclobutylcarbonyl)amino]-2,3,6-trideoxy-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]cyclobutanecarboxamide

ID: Reference11257

Other Names: D-Arabino-heptitol, 2,6-anhydro-7-[(cyclobutylcarbonyl)amino]-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540354

Formula: C21H25FN2O4

Spectral Data

(1S)-1,5-Anhydro-6-[(cyclobutylcarbonyl)amino]-2,3,6-trideoxy-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 3057
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/4/2022 10:42:57 AM
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Identificators

InChI InChI=1S/C21H25FN2O4/c22-15-6-4-13(5-7-15)19-11-16(24-28-19)10-17-8-9-18(25)20(27-17)12-23-21(26)14-2-1-3-14/h4-7,11,14,17-18,20,25H,1-3,8-10,12H2,(H,23,26)/t17-,18-,20+/m0/s1
InChI Key SQCIGRLJHPPUDW-CMKODMSKSA-N
Canonical SMILES C1CC(C1)C(=O)NCC2C(CCC(O2)CC3=NOC(=C3)C4=CC=C(C=C4)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-7-[(cyclobutylcarbonyl)amino]-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540354

In Other Databases

PubChem 75536245
ChemSpider 29856493