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

enlarge

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

ID: Reference12246

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]-2,5-dideoxy-5-[(4-phenyl-2-pyrimidinyl)amino]-;
NAT6-321240

Formula: C25H30N4O5

Spectral Data

1,4:3,6-Dianhydro-2-({[1-(carboxymethyl)cyclopentyl]acetyl}amino)-2,5-dideoxy-5-[(4-phenyl-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 2290
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 9:21:17 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H30N4O5/c30-20(12-25(13-21(31)32)9-4-5-10-25)27-18-14-33-23-19(15-34-22(18)23)29-24-26-11-8-17(28-24)16-6-2-1-3-7-16/h1-3,6-8,11,18-19,22-23H,4-5,9-10,12-15H2,(H,27,30)(H,31,32)(H,26,28,29)/t18-,19-,22+,23+/m0/s1
InChI Key WUXFGZTVFMQZLS-BZRIBIQUSA-N
Canonical SMILES C1CCC(C1)(CC(=O)NC2COC3C2OCC3NC4=NC=CC(=N4)C5=CC=CC=C5)CC(=O)O
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]-2,5-dideoxy-5-[(4-phenyl-2-pyrimidinyl)amino]-;
NAT6-321240

In Other Databases

PubChem 11912239
ChemSpider 10086562