1,4:3,6-Dianhydro-2-({[1-(carboxymethyl)cyclopentyl]acetyl}amino)-2,5-dideoxy-5-{[4-(2-furyl)-2-pyrimidinyl]amino}-L-iditol

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Systematic / IUPAC Name: 2-[1-[2-[[(3S,3aR,6S,6aR)-3-[[4-(Furan-2-yl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference12547

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320296

Formula: C23H28N4O6

Spectral Data

1,4:3,6-Dianhydro-2-({[1-(carboxymethyl)cyclopentyl]acetyl}amino)-2,5-dideoxy-5-{[4-(2-furyl)-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 1858
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2023 1:19:02 PM
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Identificators

InChI InChI=1S/C23H28N4O6/c28-18(10-23(11-19(29)30)6-1-2-7-23)25-15-12-32-21-16(13-33-20(15)21)27-22-24-8-5-14(26-22)17-4-3-9-31-17/h3-5,8-9,15-16,20-21H,1-2,6-7,10-13H2,(H,25,28)(H,29,30)(H,24,26,27)/t15-,16-,20+,21+/m0/s1
InChI Key HYPIBOGDUXHCGX-LVNJIZSUSA-N
Canonical SMILES C1CCC(C1)(CC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CO5)CC(=O)O
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320296

In Other Databases

ChemSpider 10087624
PubChem 11913301