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

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Systematic / IUPAC Name: 2-[2-[[(3S,3aR,6S,6aR)-3-[(4-tert-Butylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]amino]-2-oxoethyl]sulfanylacetic acid

ID: Reference12502

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319709

Formula: C18H26N4O5S

Spectral Data

1,4:3,6-Dianhydro-2-({[(carboxymethyl)sulfanyl]acetyl}amino)-2,5-dideoxy-5-{[4-(2-methyl-2-propanyl)-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 2661
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 10:37:23 AM
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Identificators

InChI InChI=1S/C18H26N4O5S/c1-18(2,3)12-4-5-19-17(22-12)21-11-7-27-15-10(6-26-16(11)15)20-13(23)8-28-9-14(24)25/h4-5,10-11,15-16H,6-9H2,1-3H3,(H,20,23)(H,24,25)(H,19,21,22)/t10-,11-,15+,16+/m0/s1
InChI Key RHHSNQTYJCGJDH-DPDCMNJDSA-N
Canonical SMILES CC(C)(C)C1=NC(=NC=C1)NC2COC3C2OCC3NC(=O)CSCC(=O)O
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[2-[(carboxymethyl)thio]acetyl]amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319709

In Other Databases

PubChem 11912948
ChemSpider 10087271