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

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Systematic / IUPAC Name: (3S,3aR,6S,6aR)-6-N-(4-tert-Butylpyrimidin-2-yl)-3-N-[(4-phenylphenyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine

ID: Reference12533

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[([1,1'-biphenyl]-4-ylmethyl)amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319714

Formula: C27H32N4O2

Spectral Data

1,4:3,6-Dianhydro-2-[(4-biphenylylmethyl)amino]-2,5-dideoxy-5-{[4-(2-methyl-2-propanyl)-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 709
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/15/2023 10:46:56 AM
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Identificators

InChI InChI=1S/C27H32N4O2/c1-27(2,3)23-13-14-28-26(31-23)30-22-17-33-24-21(16-32-25(22)24)29-15-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-14,21-22,24-25,29H,15-17H2,1-3H3,(H,28,30,31)/t21-,22-,24+,25+/m0/s1
InChI Key XYLKIHDXJVCYQM-ZCAIMPEWSA-N
Canonical SMILES CC(C)(C)C1=NC(=NC=C1)NC2COC3C2OCC3NCC4=CC=C(C=C4)C5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[([1,1'-biphenyl]-4-ylmethyl)amino]-2,5-dideoxy-5-[[4-(1,1-dimethylethyl)-2-pyrimidinyl]amino]-;
NAT6-319714

In Other Databases

PubChem 11912954
ChemSpider 10087277