1,4:3,6-Dianhydro-2-{[4-(4-biphenylyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-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]thiophene-2-carboxamide

ID: Reference12593

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-[1,1'-biphenyl]-4-yl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-;
NAT6-321054

Formula: C27H24N4O3S

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(4-biphenylyl)-2-pyrimidinyl]amino}-2,5-dideoxy-5-[(2-thienylcarbonyl)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 1689
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2023 9:06:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H24N4O3S/c32-26(23-7-4-14-35-23)29-21-15-33-25-22(16-34-24(21)25)31-27-28-13-12-20(30-27)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-14,21-22,24-25H,15-16H2,(H,29,32)(H,28,30,31)/t21-,22-,24+,25+/m0/s1
InChI Key RLIBNRBAIDSDBZ-ZCAIMPEWSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)C3=CC=CS3)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-[(2-thienylcarbonyl)amino]-;
NAT6-321054

In Other Databases

ChemSpider 21388519
PubChem 25390802