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

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

ID: Reference8833

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-[1,1'-biphenyl]-4-yl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[(phenylmethyl)sulfonyl]amino]-;
NAT6-321071

Formula: C29H28N4O4S

Spectral Data

1,4:3,6-Dianhydro-2-[(benzylsulfonyl)amino]-5-{[4-(4-biphenylyl)-2-pyrimidinyl]amino}-2,5-dideoxy-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 1377
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/12/2019 7:00:20 AM
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Identificators

InChI InChI=1S/C29H28N4O4S/c34-38(35,19-20-7-3-1-4-8-20)33-26-18-37-27-25(17-36-28(26)27)32-29-30-16-15-24(31-29)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-16,25-28,33H,17-19H2,(H,30,31,32)/t25-,26-,27+,28+/m0/s1
InChI Key CRWCUWSYZCRDFC-YVHASNINSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NS(=O)(=O)CC3=CC=CC=C3)NC4=NC=CC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-[1,1'-biphenyl]-4-yl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[(phenylmethyl)sulfonyl]amino]-;
NAT6-321071

In Other Databases

ChemSpider 10087544
PubChem 11913221