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

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Systematic / IUPAC Name: 2-[1-[2-[[(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]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference12594

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]-2,5-dideoxy-5-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324328

Formula: C25H29FN4O5

Spectral Data

1,4:3,6-Dianhydro-2-({[1-(carboxymethyl)cyclopentyl]acetyl}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
No. of Spectral Trees 1
No. of Spectra 2227
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 9:49:26 AM
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Identificators

InChI InChI=1S/C25H29FN4O5/c26-16-5-3-4-15(10-16)17-6-9-27-24(29-17)30-19-14-35-22-18(13-34-23(19)22)28-20(31)11-25(12-21(32)33)7-1-2-8-25/h3-6,9-10,18-19,22-23H,1-2,7-8,11-14H2,(H,28,31)(H,32,33)(H,27,29,30)/t18-,19-,22+,23+/m0/s1
InChI Key OVBWDQQDZXGIAC-BZRIBIQUSA-N
Canonical SMILES C1CCC(C1)(CC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC(=CC=C5)F)CC(=O)O
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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-(3-fluorophenyl)-2-pyrimidinyl]amino]-;
NAT6-324328

In Other Databases

PubChem 11913371
ChemSpider 10087694