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

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Systematic / IUPAC Name: 2-Ethyl-N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]butanamide

ID: Reference12552

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(2-ethyl-1-oxobutyl)amino]-1-[5-(phenoxymethyl)-3-isoxazolyl]-;
NAT12-540632

Formula: C23H32N2O5

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(2-ethylbutanoyl)amino]-1-{[5-(phenoxymethyl)-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 2720
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/26/2023 1:11:02 PM
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Identificators

InChI InChI=1S/C23H32N2O5/c1-3-16(4-2)23(27)24-14-22-21(26)11-10-19(29-22)12-17-13-20(30-25-17)15-28-18-8-6-5-7-9-18/h5-9,13,16,19,21-22,26H,3-4,10-12,14-15H2,1-2H3,(H,24,27)/t19-,21-,22+/m0/s1
InChI Key UWADIXJSHFNSQM-ILWGZMRPSA-N
Canonical SMILES CCC(CC)C(=O)NCC1C(CCC(O1)CC2=NOC(=C2)COC3=CC=CC=C3)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(2-ethyl-1-oxobutyl)amino]-1-[5-(phenoxymethyl)-3-isoxazolyl]-;
NAT12-540632

In Other Databases

ChemSpider 29856628
PubChem 75366995