(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-{[(2-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-(2-methoxyphenyl)urea

ID: Reference11341

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-[[[(2-methoxyphenyl)amino]carbonyl]amino]-;
NAT12-540442

Formula: C20H27N3O6

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-6-{[(2-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 1965
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/8/2022 8:00:13 AM
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Identificators

InChI InChI=1S/C20H27N3O6/c1-26-12-15-10-13(23-29-15)9-14-7-8-17(24)19(28-14)11-21-20(25)22-16-5-3-4-6-18(16)27-2/h3-6,10,14,17,19,24H,7-9,11-12H2,1-2H3,(H2,21,22,25)/t14-,17-,19+/m0/s1
InChI Key WCVXKIGEMWPGLX-UCLAIMLFSA-N
Canonical SMILES COCC1=CC(=NO1)CC2CCC(C(O2)CNC(=O)NC3=CC=CC=C3OC)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-[[[(2-methoxyphenyl)amino]carbonyl]amino]-;
NAT12-540442

In Other Databases

ChemSpider 29856547
PubChem 75536283