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

enlarge

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

ID: Reference12532

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]-2,5-dideoxy-5-[[4-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319234

Formula: C27H35N5O5

Spectral Data

1,4:3,6-Dianhydro-2-({[1-(carboxymethyl)cyclopentyl]acetyl}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 2146
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2023 10:44:35 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H35N5O5/c1-32(2)18-7-5-17(6-8-18)19-9-12-28-26(30-19)31-21-16-37-24-20(15-36-25(21)24)29-22(33)13-27(14-23(34)35)10-3-4-11-27/h5-9,12,20-21,24-25H,3-4,10-11,13-16H2,1-2H3,(H,29,33)(H,34,35)(H,28,30,31)/t20-,21-,24+,25+/m0/s1
InChI Key JMBNOSCCWFFVOT-KXTAGPOFSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)CC5(CCCC5)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-[4-(dimethylamino)phenyl]-2-pyrimidinyl]amino]-;
NAT6-319234

In Other Databases

PubChem 11911867
ChemSpider 10086190