1,4-Anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-4-(Cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

ID: Reference12781

Other Names: D-Arabinitol, 1,4-anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551057

Formula: C17H32N2O3

Spectral Data

1,4-Anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-D-arabinitol 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 1634
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/26/2023 8:51:36 AM
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Identificators

InChI InChI=1S/C17H32N2O3/c1-17(2,3)9-15(20)18-10-14-16(21)13(11-22-14)19-12-7-5-4-6-8-12/h12-14,16,19,21H,4-11H2,1-3H3,(H,18,20)/t13-,14-,16+/m1/s1
InChI Key POCOPVKVDQUAMH-FMKPAKJESA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1C(C(CO1)NC2CCCCC2)O
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Other Names D-Arabinitol, 1,4-anhydro-2-(cyclohexylamino)-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551057

In Other Databases

PubChem 75367061
ChemSpider 29858392