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

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Systematic / IUPAC Name: (2R,3S,6S)-6-[[5-[[Benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-[[(2-hydroxyphenyl)methylamino]methyl]oxan-3-ol

ID: Reference12550

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(2-hydroxyphenyl)methyl]amino]-1-[5-[[methyl(phenylmethyl)amino]methyl]-3-isoxazolyl]-;
NAT12-540621

Formula: C26H33N3O4

Spectral Data

(1S)-1,5-Anhydro-1-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-2,3,6-trideoxy-6-[(2-hydroxybenzyl)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 911
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/26/2023 1:03:03 PM
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Identificators

InChI InChI=1S/C26H33N3O4/c1-29(17-19-7-3-2-4-8-19)18-23-14-21(28-33-23)13-22-11-12-25(31)26(32-22)16-27-15-20-9-5-6-10-24(20)30/h2-10,14,22,25-27,30-31H,11-13,15-18H2,1H3/t22-,25-,26+/m0/s1
InChI Key YHYJXVIEQWCWRM-UCGXPXSYSA-N
Canonical SMILES CN(CC1=CC=CC=C1)CC2=CC(=NO2)CC3CCC(C(O3)CNCC4=CC=CC=C4O)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(2-hydroxyphenyl)methyl]amino]-1-[5-[[methyl(phenylmethyl)amino]methyl]-3-isoxazolyl]-;
NAT12-540621

In Other Databases

PubChem 75366989
ChemSpider 29856619