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

enlarge

Systematic / IUPAC Name: 2-[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]sulfanylacetic acid

ID: Reference12038

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-5-[(4-phenyl-2-pyrimidinyl)amino]-;
NAT6-321243

Formula: C20H22N4O5S

Spectral Data

1,4:3,6-Dianhydro-2-({[(carboxymethyl)sulfanyl]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 2157
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2022 12:02:41 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H22N4O5S/c25-16(10-30-11-17(26)27)22-14-8-28-19-15(9-29-18(14)19)24-20-21-7-6-13(23-20)12-4-2-1-3-5-12/h1-7,14-15,18-19H,8-11H2,(H,22,25)(H,26,27)(H,21,23,24)/t14-,15-,18+,19+/m0/s1
InChI Key QKIZDPXGJJEEBU-ILRDRHFLSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)CSCC(=O)O)NC3=NC=CC(=N3)C4=CC=CC=C4
CAS
Splash
Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-5-[(4-phenyl-2-pyrimidinyl)amino]-;
NAT6-321243

In Other Databases

PubChem 11912241
ChemSpider 10086564