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

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Systematic / IUPAC Name: N-[[(2R,3S,6S)-6-[[5-[[Benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]-3-fluorobenzamide

ID: Reference13067

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(3-fluorobenzoyl)amino]-1-[5-[[methyl(phenylmethyl)amino]methyl]-3-isoxazolyl]-;
NAT12-540563

Formula: C26H30FN3O4

Spectral Data

(1S)-1,5-Anhydro-1-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-2,3,6-trideoxy-6-[(3-fluorobenzoyl)amino]-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 1311
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/20/2024 8:30:43 AM
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Identificators

InChI InChI=1S/C26H30FN3O4/c1-30(16-18-6-3-2-4-7-18)17-23-14-21(29-34-23)13-22-10-11-24(31)25(33-22)15-28-26(32)19-8-5-9-20(27)12-19/h2-9,12,14,22,24-25,31H,10-11,13,15-17H2,1H3,(H,28,32)/t22-,24-,25+/m0/s1
InChI Key NCABBOLEPWUFOG-ZKMPZPQNSA-N
Canonical SMILES CN(CC1=CC=CC=C1)CC2=CC(=NO2)CC3CCC(C(O3)CNC(=O)C4=CC(=CC=C4)F)O
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(3-fluorobenzoyl)amino]-1-[5-[[methyl(phenylmethyl)amino]methyl]-3-isoxazolyl]-;
NAT12-540563

In Other Databases

ChemSpider 29856610
PubChem 75366980