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

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

ID: Reference11352

Other Names: D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[(4-methoxyphenyl)methyl]amino]-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551720

Formula: C17H27N3O4

Spectral Data

1,4-Anhydro-2,5-dideoxy-5-[(isopropylcarbamoyl)amino]-2-[(4-methoxybenzyl)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 570
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2022 6:53:57 AM
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Identificators

InChI InChI=1S/C17H27N3O4/c1-11(2)20-17(22)19-9-15-16(21)14(10-24-15)18-8-12-4-6-13(23-3)7-5-12/h4-7,11,14-16,18,21H,8-10H2,1-3H3,(H2,19,20,22)/t14-,15-,16+/m1/s1
InChI Key RQFHBVUMSLKMRH-OAGGEKHMSA-N
Canonical SMILES CC(C)NC(=O)NCC1C(C(CO1)NCC2=CC=C(C=C2)OC)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[[(4-methoxyphenyl)methyl]amino]-5-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT19-551720

In Other Databases

ChEMBL CHEMBL3437300
ChemSpider 29858649
PubChem 75536730