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

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Systematic / IUPAC Name: 4-[[[(3R,4S,5R)-5-[(3,3-Dimethylbutanoylamino)methyl]-4-hydroxyoxolan-3-yl]amino]methyl]benzoic acid

ID: Reference11838

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551075

Formula: C19H28N2O5

Spectral Data

1,4-Anhydro-2-[(4-carboxybenzyl)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 2355
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2022 1:56:17 PM
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Identificators

InChI InChI=1S/C19H28N2O5/c1-19(2,3)8-16(22)21-10-15-17(23)14(11-26-15)20-9-12-4-6-13(7-5-12)18(24)25/h4-7,14-15,17,20,23H,8-11H2,1-3H3,(H,21,22)(H,24,25)/t14-,15-,17+/m1/s1
InChI Key MCRFGFUPQNTQPR-INMHGKMJSA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1C(C(CO1)NCC2=CC=C(C=C2)C(=O)O)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-;
NAT19-551075

In Other Databases

ChemSpider 29858404
PubChem 75536524