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

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Systematic / IUPAC Name: 1-[[(2R,3S,4R)-3-Hydroxy-4-(thiophen-2-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea

ID: Reference1855

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[[(1-methylethyl)amino]carbonyl]amino]-2-[(2-thienylmethyl)amino]-;
NAT19-551747

Formula: C14H23N3O3S

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-[(isopropylcarbamoyl)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 675
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/22/2022 7:25:24 PM
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Identificators

InChI InChI=1S/C14H23N3O3S/c1-9(2)17-14(19)16-7-12-13(18)11(8-20-12)15-6-10-4-3-5-21-10/h3-5,9,11-13,15,18H,6-8H2,1-2H3,(H2,16,17,19)/t11-,12-,13+/m1/s1
InChI Key HXEUIDPLOPBEGC-UPJWGTAASA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(CO1)NCC2=CC=CS2)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[[(1-methylethyl)amino]carbonyl]amino]-2-[(2-thienylmethyl)amino]-;
NAT19-551747

In Other Databases

PubChem 75536741
ChEMBL CHEMBL3437304
ChemSpider 29858660