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

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide

ID: Reference11425

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[(2-thienylmethyl)amino]-;
NAT19-551097

Formula: C16H26N2O3S

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-[(3,3-dimethylbutanoyl)amino]-2-[(2-thienylmethyl)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 790
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/31/2022 9:31:12 AM
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Identificators

InChI InChI=1S/C16H26N2O3S/c1-16(2,3)7-14(19)18-9-13-15(20)12(10-21-13)17-8-11-5-4-6-22-11/h4-6,12-13,15,17,20H,7-10H2,1-3H3,(H,18,19)/t12-,13-,15+/m1/s1
InChI Key UHZATJXCFWFCOD-NFAWXSAZSA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1C(C(CO1)NCC2=CC=CS2)O
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-[(2-thienylmethyl)amino]-;
NAT19-551097

In Other Databases

PubChem 86769002
ChemSpider 29858412