(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-{[(4-methoxyphenyl)carbamoyl]amino}-D-erythro-hexitol

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Systematic / IUPAC Name: 1-[[(2R,3S,6S)-3-Hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-(4-methoxyphenyl)urea

ID: Reference12731

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-[[[(4-methoxyphenyl)amino]carbonyl]amino]-;
NAT12-540439

Formula: C20H27N3O6

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-{[(4-methoxyphenyl)carbamoyl]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 2372
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2023 8:31:12 AM
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Identificators

InChI InChI=1S/C20H27N3O6/c1-26-12-17-10-14(23-29-17)9-16-7-8-18(24)19(28-16)11-21-20(25)22-13-3-5-15(27-2)6-4-13/h3-6,10,16,18-19,24H,7-9,11-12H2,1-2H3,(H2,21,22,25)/t16-,18-,19+/m0/s1
InChI Key LJUFFDVGJAJEJT-YTQUADARSA-N
Canonical SMILES COCC1=CC(=NO1)CC2CCC(C(O2)CNC(=O)NC3=CC=C(C=C3)OC)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-[[[(4-methoxyphenyl)amino]carbonyl]amino]-;
NAT12-540439

In Other Databases

ChemSpider 29856544
PubChem 75366958