(1S)-1,5-Anhydro-1-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-2,3,6-trideoxy-6-(isopropylamino)-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-[(propan-2-ylamino)methyl]oxan-3-ol

ID: Reference12839

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(1-methylethyl)amino]-1-[5-[[methyl(phenylmethyl)amino]methyl]-3-isoxazolyl]-;
NAT12-540625

Formula: C22H33N3O3

Spectral Data

(1S)-1,5-Anhydro-1-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]-2,3,6-trideoxy-6-(isopropylamino)-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 970
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2023 10:17:42 AM
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Identificators

InChI InChI=1S/C22H33N3O3/c1-16(2)23-13-22-21(26)10-9-19(27-22)11-18-12-20(28-24-18)15-25(3)14-17-7-5-4-6-8-17/h4-8,12,16,19,21-23,26H,9-11,13-15H2,1-3H3/t19-,21-,22+/m0/s1
InChI Key FRXBYCFMJWNSRC-ILWGZMRPSA-N
Canonical SMILES CC(C)NCC1C(CCC(O1)CC2=NOC(=C2)CN(C)CC3=CC=CC=C3)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(1-methylethyl)amino]-1-[5-[[methyl(phenylmethyl)amino]methyl]-3-isoxazolyl]-;
NAT12-540625

In Other Databases

PubChem 75366993
ChemSpider 29856623