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

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

ID: Reference12500

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[(2-phenoxyacetyl)amino]-;
NAT6-321286

Formula: C25H26N4O5

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(4-methoxyphenyl)-2-pyrimidinyl]amino}-5-[(phenoxyacetyl)amino]-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2421
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 10:34:02 AM
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Identificators

InChI InChI=1S/C25H26N4O5/c1-31-17-9-7-16(8-10-17)19-11-12-26-25(28-19)29-21-14-34-23-20(13-33-24(21)23)27-22(30)15-32-18-5-3-2-4-6-18/h2-12,20-21,23-24H,13-15H2,1H3,(H,27,30)(H,26,28,29)/t20-,21-,23+,24+/m0/s1
InChI Key ONKVCZISFHNXJY-NEUULRRLSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)COC5=CC=CC=C5
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-5-[(2-phenoxyacetyl)amino]-;
NAT6-321286

In Other Databases

PubChem 11912819
ChemSpider 10087142