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

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Systematic / IUPAC Name: 1-[(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]-3-phenylurea

ID: Reference12628

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-[1,1'-biphenyl]-4-yl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[(phenylamino)carbonyl]amino]-;
NAT6-321086

Formula: C29H27N5O3

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(4-biphenylyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-[(phenylcarbamoyl)amino]-L-iditol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2292
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2023 10:58:32 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H27N5O3/c35-29(31-22-9-5-2-6-10-22)34-25-18-37-26-24(17-36-27(25)26)33-28-30-16-15-23(32-28)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-16,24-27H,17-18H2,(H,30,32,33)(H2,31,34,35)/t24-,25-,26+,27+/m0/s1
InChI Key NUPSWQPCQLDAAJ-GWMMUDDPSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)NC3=CC=CC=C3)NC4=NC=CC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6
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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-[[(phenylamino)carbonyl]amino]-;
NAT6-321086

In Other Databases

ChemSpider 21388520
PubChem 44716814