1,4-Anhydro-2,5-dideoxy-5-[(isopropylcarbamoyl)amino]-2-(tetrahydro-2H-pyran-4-ylamino)-D-arabinitol

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

ID: Reference12722

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[[(1-methylethyl)amino]carbonyl]amino]-2-[(tetrahydro-2H-pyran-4-yl)amino]-;
NAT19-551709

Formula: C14H27N3O4

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-[(isopropylcarbamoyl)amino]-2-(tetrahydro-2H-pyran-4-ylamino)-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 620
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/18/2023 11:44:33 AM
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Identificators

InChI InChI=1S/C14H27N3O4/c1-9(2)16-14(19)15-7-12-13(18)11(8-21-12)17-10-3-5-20-6-4-10/h9-13,17-18H,3-8H2,1-2H3,(H2,15,16,19)/t11-,12-,13+/m1/s1
InChI Key FZRWCYQTDJULAT-UPJWGTAASA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(CO1)NC2CCOCC2)O
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-5-[[[(1-methylethyl)amino]carbonyl]amino]-2-[(tetrahydro-2H-pyran-4-yl)amino]-;
NAT19-551709

In Other Databases

PubChem 75536723
ChemSpider 29858641