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

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

ID: Reference11306

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551086

Formula: C19H27N3O3

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-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 1255
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/24/2022 3:47:37 PM
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Identificators

InChI InChI=1S/C19H27N3O3/c1-19(2,3)8-17(23)22-11-16-18(24)15(12-25-16)21-10-14-6-4-5-13(7-14)9-20/h4-7,15-16,18,21,24H,8,10-12H2,1-3H3,(H,22,23)/t15-,16-,18+/m1/s1
InChI Key FXDHAWCCPNTQOB-NUJGCVRESA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1C(C(CO1)NCC2=CC(=CC=C2)C#N)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551086

In Other Databases

PubChem 75536530
ChemSpider 29858410