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

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Systematic / IUPAC Name: 1-(3-Fluorophenyl)-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea

ID: Reference12831

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[[(3-fluorophenyl)amino]carbonyl]amino]-1-[5-(phenoxymethyl)-3-isoxazolyl]-;
NAT12-540660

Formula: C24H26FN3O5

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-{[(3-fluorophenyl)carbamoyl]amino}-1-{[5-(phenoxymethyl)-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 2050
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/20/2023 7:41:10 AM
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Identificators

InChI InChI=1S/C24H26FN3O5/c25-16-5-4-6-17(11-16)27-24(30)26-14-23-22(29)10-9-20(32-23)12-18-13-21(33-28-18)15-31-19-7-2-1-3-8-19/h1-8,11,13,20,22-23,29H,9-10,12,14-15H2,(H2,26,27,30)/t20-,22-,23+/m0/s1
InChI Key YQGYAAJKFTXIIP-ACIOBRDBSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)COC3=CC=CC=C3)CNC(=O)NC4=CC(=CC=C4)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[[(3-fluorophenyl)amino]carbonyl]amino]-1-[5-(phenoxymethyl)-3-isoxazolyl]-;
NAT12-540660

In Other Databases

PubChem 75367001
ChemSpider 29856641