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

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

ID: Reference11713

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[(2-hydroxyphenyl)methyl]amino]-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551724

Formula: C16H25N3O4

Spectral Data

1,4-Anhydro-2,5-dideoxy-2-[(2-hydroxybenzyl)amino]-5-[(isopropylcarbamoyl)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 1071
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/6/2022 7:12:14 AM
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Identificators

InChI InChI=1S/C16H25N3O4/c1-10(2)19-16(22)18-8-14-15(21)12(9-23-14)17-7-11-5-3-4-6-13(11)20/h3-6,10,12,14-15,17,20-21H,7-9H2,1-2H3,(H2,18,19,22)/t12-,14-,15+/m1/s1
InChI Key PKPYERGFXOKKHI-YUELXQCFSA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(CO1)NCC2=CC=CC=C2O)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[(2-hydroxyphenyl)methyl]amino]-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551724

In Other Databases

ChemSpider 29858651
PubChem 75536732
ChEMBL CHEMBL3437301