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

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

ID: Reference12736

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[(ethylamino)carbonyl]amino]-1-[5-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540433

Formula: C15H25N3O5

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(ethylcarbamoyl)amino]-1-{[5-(methoxymethyl)-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 1790
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2023 8:50:55 AM
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Identificators

InChI InChI=1S/C15H25N3O5/c1-3-16-15(20)17-8-14-13(19)5-4-11(22-14)6-10-7-12(9-21-2)23-18-10/h7,11,13-14,19H,3-6,8-9H2,1-2H3,(H2,16,17,20)/t11-,13-,14+/m0/s1
InChI Key FOEVEEUWYTUGEQ-FPMFFAJLSA-N
Canonical SMILES CCNC(=O)NCC1C(CCC(O1)CC2=NOC(=C2)COC)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-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540433

In Other Databases

ChemSpider 29856538
PubChem 75366956