1,4:3,6-Dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-{[4-(dimethylamino)benzoyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-3-[(4-Cyclopentylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-(dimethylamino)benzamide

ID: Reference12267

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[4-(dimethylamino)benzoyl]amino]-;
NAT6-322170

Formula: C24H31N5O3

Spectral Data

1,4:3,6-Dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-{[4-(dimethylamino)benzoyl]amino}-L-iditol 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 1695
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/16/2023 3:56:50 PM
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Identificators

InChI InChI=1S/C24H31N5O3/c1-29(2)17-9-7-16(8-10-17)23(30)26-19-13-31-22-20(14-32-21(19)22)28-24-25-12-11-18(27-24)15-5-3-4-6-15/h7-12,15,19-22H,3-6,13-14H2,1-2H3,(H,26,30)(H,25,27,28)/t19-,20-,21+,22+/m0/s1
InChI Key VELKIUVYPPSAAT-FNAHDJPLSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5CCCC5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[4-(dimethylamino)benzoyl]amino]-;
NAT6-322170

In Other Databases

ChemSpider 10086109
PubChem 11911786