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

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Systematic / IUPAC Name: 1-Ethyl-3-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]urea

ID: Reference12734

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(ethylamino)carbonyl]amino]-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540360

Formula: C19H24FN3O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(ethylcarbamoyl)amino]-1-{[5-(4-fluorophenyl)-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 1540
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2023 8:48:35 AM
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Identificators

InChI InChI=1S/C19H24FN3O4/c1-2-21-19(25)22-11-18-16(24)8-7-15(26-18)9-14-10-17(27-23-14)12-3-5-13(20)6-4-12/h3-6,10,15-16,18,24H,2,7-9,11H2,1H3,(H2,21,22,25)/t15-,16-,18+/m0/s1
InChI Key ARVSJGRROVRQQV-XYJFISCASA-N
Canonical SMILES CCNC(=O)NCC1C(CCC(O1)CC2=NOC(=C2)C3=CC=C(C=C3)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(ethylamino)carbonyl]amino]-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540360

In Other Databases

PubChem 75366944
ChemSpider 29856497