1,4:3,6-Dianhydro-2-(benzoylamino)-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]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]benzamide

ID: Reference12524

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-(benzoylamino)-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321269

Formula: C24H24N4O4

Spectral Data

1,4:3,6-Dianhydro-2-(benzoylamino)-2,5-dideoxy-5-{[4-(4-methoxyphenyl)-2-pyrimidinyl]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 1263
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/12/2023 1:14:53 PM
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Identificators

InChI InChI=1S/C24H24N4O4/c1-30-17-9-7-15(8-10-17)18-11-12-25-24(27-18)28-20-14-32-21-19(13-31-22(20)21)26-23(29)16-5-3-2-4-6-16/h2-12,19-22H,13-14H2,1H3,(H,26,29)(H,25,27,28)/t19-,20-,21+,22+/m0/s1
InChI Key CTGLCSBHEYLUDF-FNAHDJPLSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-(benzoylamino)-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321269

In Other Databases

PubChem 40587851
ChemSpider 21388524