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

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

ID: Reference12737

Other Names: D-Arabino-heptitol, 2,6-anhydro-7-[[(cyclohexylamino)carbonyl]amino]-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540435

Formula: C19H31N3O5

Spectral Data

(1S)-1,5-Anhydro-6-[(cyclohexylcarbamoyl)amino]-2,3,6-trideoxy-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 935
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2023 8:51:40 AM
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Identificators

InChI InChI=1S/C19H31N3O5/c1-25-12-16-10-14(22-27-16)9-15-7-8-17(23)18(26-15)11-20-19(24)21-13-5-3-2-4-6-13/h10,13,15,17-18,23H,2-9,11-12H2,1H3,(H2,20,21,24)/t15-,17-,18+/m0/s1
InChI Key ALAZIJONQMYCHQ-RYQLBKOJSA-N
Canonical SMILES COCC1=CC(=NO1)CC2CCC(C(O2)CNC(=O)NC3CCCCC3)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-7-[[(cyclohexylamino)carbonyl]amino]-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540435

In Other Databases

ChemSpider 29856540
PubChem 86769372