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

enlarge

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

ID: Reference12525

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-1-oxobutyl)amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319229

Formula: C23H29N5O5

Spectral Data

1,4:3,6-Dianhydro-2-[(4-carboxybutanoyl)amino]-2,5-dideoxy-5-({4-[4-(dimethylamino)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 2367
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2023 10:27:41 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H29N5O5/c1-28(2)15-8-6-14(7-9-15)16-10-11-24-23(26-16)27-18-13-33-21-17(12-32-22(18)21)25-19(29)4-3-5-20(30)31/h6-11,17-18,21-22H,3-5,12-13H2,1-2H3,(H,25,29)(H,30,31)(H,24,26,27)/t17-,18-,21+,22+/m0/s1
InChI Key CVUOOWDOPLBYOC-MOXQZVSFSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)CCCC(=O)O
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-carboxy-1-oxobutyl)amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319229

In Other Databases

PubChem 11911865
ChemSpider 10086188