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

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Systematic / IUPAC Name: 5-[[(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]amino]-3,3-dimethyl-5-oxopentanoic acid

ID: Reference12511

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-3,3-dimethyl-1-oxobutyl)amino]-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321360

Formula: C24H30N4O6

Spectral Data

1,4:3,6-Dianhydro-2-[(4-carboxy-3,3-dimethylbutanoyl)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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2435
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2023 8:19:29 AM
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Identificators

InChI InChI=1S/C24H30N4O6/c1-24(2,11-20(30)31)10-19(29)26-17-12-33-22-18(13-34-21(17)22)28-23-25-9-8-16(27-23)14-4-6-15(32-3)7-5-14/h4-9,17-18,21-22H,10-13H2,1-3H3,(H,26,29)(H,30,31)(H,25,27,28)/t17-,18-,21+,22+/m0/s1
InChI Key NDQJFYXALCFDIU-MOXQZVSFSA-N
Canonical SMILES CC(C)(CC(=O)NC1COC2C1OCC2NC3=NC=CC(=N3)C4=CC=C(C=C4)OC)CC(=O)O
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-3,3-dimethyl-1-oxobutyl)amino]-2,5-dideoxy-5-[[4-(4-methoxyphenyl)-2-pyrimidinyl]amino]-;
NAT6-321360

In Other Databases

PubChem 11912794
ChemSpider 10087117