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

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

ID: Reference11064

Other Names: NAT6-320291

Formula: C19H22N4O6

Spectral Data

1,4:3,6-Dianhydro-2-[(4-carboxybutanoyl)amino]-2,5-dideoxy-5-{[4-(2-furyl)-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 2024
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/26/2021 9:51:55 AM
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Identificators

InChI InChI=1S/C19H22N4O6/c24-15(4-1-5-16(25)26)21-12-9-28-18-13(10-29-17(12)18)23-19-20-7-6-11(22-19)14-3-2-8-27-14/h2-3,6-8,12-13,17-18H,1,4-5,9-10H2,(H,21,24)(H,25,26)(H,20,22,23)/t12-,13-,17+,18+/m0/s1
InChI Key CQZXGMOIEVCEKO-RPLLJCPNSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)CCCC(=O)O)NC3=NC=CC(=N3)C4=CC=CO4
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Other Names NAT6-320291

In Other Databases

ChemSpider 10087622
PubChem 11913299