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

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

ID: Reference12535

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(3-fluorobenzoyl)amino]-1-[5-(4-morpholinylmethyl)-3-isoxazolyl]-;
NAT12-540928

Formula: C22H28FN3O5

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(3-fluorobenzoyl)amino]-1-{[5-(4-morpholinylmethyl)-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 1440
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/19/2023 12:36:11 PM
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Identificators

InChI InChI=1S/C22H28FN3O5/c23-16-3-1-2-15(10-16)22(28)24-13-21-20(27)5-4-18(30-21)11-17-12-19(31-25-17)14-26-6-8-29-9-7-26/h1-3,10,12,18,20-21,27H,4-9,11,13-14H2,(H,24,28)/t18-,20-,21+/m0/s1
InChI Key MLKJDJMRCCLFBZ-SESVDKBCSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)CN3CCOCC3)CNC(=O)C4=CC(=CC=C4)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(3-fluorobenzoyl)amino]-1-[5-(4-morpholinylmethyl)-3-isoxazolyl]-;
NAT12-540928

In Other Databases

ChemSpider 29856741
PubChem 75367021