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

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

ID: Reference8977

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-1-oxobutyl)amino]-2,5-dideoxy-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324323

Formula: C21H23FN4O5

Spectral Data

1,4:3,6-Dianhydro-2-[(4-carboxybutanoyl)amino]-2,5-dideoxy-5-{[4-(3-fluorophenyl)-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2638
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2019 11:16:35 AM
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Identificators

InChI InChI=1S/C21H23FN4O5/c22-13-4-1-3-12(9-13)14-7-8-23-21(25-14)26-16-11-31-19-15(10-30-20(16)19)24-17(27)5-2-6-18(28)29/h1,3-4,7-9,15-16,19-20H,2,5-6,10-11H2,(H,24,27)(H,28,29)(H,23,25,26)/t15-,16-,19+,20+/m0/s1
InChI Key WWSPEIAGVZORSO-XAMWDVODSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)CCCC(=O)O)NC3=NC=CC(=N3)C4=CC(=CC=C4)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-1-oxobutyl)amino]-2,5-dideoxy-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324323

In Other Databases

PubChem 11913369
ChemSpider 10087692