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

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

ID: Reference11181

Other Names: D-Arabino-heptitol, 2,6-anhydro-7-(benzoylamino)-1,3,4,7-tetradeoxy-1-[5-(4-morpholinylmethyl)-3-isoxazolyl]-;
NAT12-540923

Formula: C22H29N3O5

Spectral Data

(1S)-1,5-Anhydro-6-(benzoylamino)-2,3,6-trideoxy-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 529
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/4/2022 11:03:40 AM
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Identificators

InChI InChI=1S/C22H29N3O5/c26-20-7-6-18(29-21(20)14-23-22(27)16-4-2-1-3-5-16)12-17-13-19(30-24-17)15-25-8-10-28-11-9-25/h1-5,13,18,20-21,26H,6-12,14-15H2,(H,23,27)/t18-,20-,21+/m0/s1
InChI Key BDJVFUPQIHCAFX-SESVDKBCSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)CN3CCOCC3)CNC(=O)C4=CC=CC=C4)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-7-(benzoylamino)-1,3,4,7-tetradeoxy-1-[5-(4-morpholinylmethyl)-3-isoxazolyl]-;
NAT12-540923

In Other Databases

ChemSpider 29856738
PubChem 75536413