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

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

ID: Reference7566

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551736

Formula: C17H24N4O3

Spectral Data

1,4-Anhydro-2-[(3-cyanobenzyl)amino]-2,5-dideoxy-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 735
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/22/2022 2:37:52 PM
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Identificators

InChI InChI=1S/C17H24N4O3/c1-11(2)21-17(23)20-9-15-16(22)14(10-24-15)19-8-13-5-3-4-12(6-13)7-18/h3-6,11,14-16,19,22H,8-10H2,1-2H3,(H2,20,21,23)/t14-,15-,16+/m1/s1
InChI Key VAWPIGZYIDIINM-OAGGEKHMSA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(CO1)NCC2=CC(=CC=C2)C#N)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(3-cyanophenyl)methyl]amino]-2,5-dideoxy-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551736

In Other Databases

PubChem 75536739
ChemSpider 29858658