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

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Systematic / IUPAC Name: 2-[[(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]carbamoyl]benzoic acid

ID: Reference12503

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321359

Formula: C25H24N4O6

Spectral Data

1,4:3,6-Dianhydro-2-[(2-carboxybenzoyl)amino]-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 2157
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 10:39:13 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H24N4O6/c1-33-15-8-6-14(7-9-15)18-10-11-26-25(28-18)29-20-13-35-21-19(12-34-22(20)21)27-23(30)16-4-2-3-5-17(16)24(31)32/h2-11,19-22H,12-13H2,1H3,(H,27,30)(H,31,32)(H,26,28,29)/t19-,20-,21+,22+/m0/s1
InChI Key JDTZGDVYFJWIGX-FNAHDJPLSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)C5=CC=CC=C5C(=O)O
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(2-carboxybenzoyl)amino]-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321359

In Other Databases

ChemSpider 10087115
PubChem 11912792