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

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[[4-(3-Fluorophenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(4-phenoxyphenyl)urea

ID: Reference9014

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[[[(4-phenoxyphenyl)amino]carbonyl]amino]-;
NAT6-324300

Formula: C29H26FN5O4

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[4-(3-fluorophenyl)-2-pyrimidinyl]amino}-5-{[(4-phenoxyphenyl)carbamoyl]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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1831
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2019 8:13:05 AM
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Identificators

InChI InChI=1S/C29H26FN5O4/c30-19-6-4-5-18(15-19)23-13-14-31-28(33-23)34-24-16-37-27-25(17-38-26(24)27)35-29(36)32-20-9-11-22(12-10-20)39-21-7-2-1-3-8-21/h1-15,24-27H,16-17H2,(H,31,33,34)(H2,32,35,36)/t24-,25-,26+,27+/m0/s1
InChI Key AUQGZOPDSLWTSW-GWMMUDDPSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)NC5=NC=CC(=N5)C6=CC(=CC=C6)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[4-(3-fluorophenyl)-2-pyrimidinyl]amino]-5-[[[(4-phenoxyphenyl)amino]carbonyl]amino]-;
NAT6-324300

In Other Databases

PubChem 11941677
ChemSpider 10115996