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

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Systematic / IUPAC Name: 4-[[(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]-4-oxobutanoic acid

ID: Reference10950

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(3-carboxy-1-oxopropyl)amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320288

Formula: C18H20N4O6

Spectral Data

1,4:3,6-Dianhydro-2-[(3-carboxypropanoyl)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 1645
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:37:51 AM
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Identificators

InChI InChI=1S/C18H20N4O6/c23-14(3-4-15(24)25)20-11-8-27-17-12(9-28-16(11)17)22-18-19-6-5-10(21-18)13-2-1-7-26-13/h1-2,5-7,11-12,16-17H,3-4,8-9H2,(H,20,23)(H,24,25)(H,19,21,22)/t11-,12-,16+,17+/m0/s1
InChI Key OTDRVSBRPICELU-IYVPYFHTSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)CCC(=O)O)NC3=NC=CC(=N3)C4=CC=CO4
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(3-carboxy-1-oxopropyl)amino]-2,5-dideoxy-5-[[4-(2-furanyl)-2-pyrimidinyl]amino]-;
NAT6-320288

In Other Databases

ChemSpider 10087620
PubChem 11913297