1,4-Anhydro-2,5-dideoxy-2-(isopropylamino)-5-[(2-thienylcarbonyl)amino]-D-arabinitol

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Systematic / IUPAC Name: N-[[(2R,3S,4R)-3-Hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]thiophene-2-carboxamide

ID: Reference11354

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(1-methylethyl)amino]-5-[(2-thienylcarbonyl)amino]-;
NAT19-551304

Formula: C13H20N2O3S

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-(isopropylamino)-5-[(2-thienylcarbonyl)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 695
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2022 6:56:33 AM
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Identificators

InChI InChI=1S/C13H20N2O3S/c1-8(2)15-9-7-18-10(12(9)16)6-14-13(17)11-4-3-5-19-11/h3-5,8-10,12,15-16H,6-7H2,1-2H3,(H,14,17)/t9-,10-,12+/m1/s1
InChI Key ZSXPMCXDSQYAAY-FOGDFJRCSA-N
Canonical SMILES CC(C)NC1COC(C1O)CNC(=O)C2=CC=CS2
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(1-methylethyl)amino]-5-[(2-thienylcarbonyl)amino]-;
NAT19-551304

In Other Databases

ChEMBL CHEMBL3437378
PubChem 75536591
ChemSpider 29858484