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

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

ID: Reference10515

Other Names: NAT6-319591

Formula: C18H20N4O5S2

Spectral Data

1,4:3,6-Dianhydro-2-({[(carboxymethyl)sulfanyl]acetyl}amino)-2,5-dideoxy-5-{[4-(2-thienyl)-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 2
No. of Spectra 3720
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/4/2021 11:20:05 AM
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Identificators

InChI InChI=1S/C18H20N4O5S2/c23-14(8-28-9-15(24)25)20-11-6-26-17-12(7-27-16(11)17)22-18-19-4-3-10(21-18)13-2-1-5-29-13/h1-5,11-12,16-17H,6-9H2,(H,20,23)(H,24,25)(H,19,21,22)/t11-,12-,16+,17+/m0/s1
InChI Key UIJZBJHFOCOWLO-IYVPYFHTSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)CSCC(=O)O)NC3=NC=CC(=N3)C4=CC=CS4
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Other Names NAT6-319591

In Other Databases

PubChem 11912902
ChemSpider 10087225