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

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Systematic / IUPAC Name: 5-[[(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]amino]-5-oxopentanoic acid

ID: Reference12418

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-[1,1'-biphenyl]-4-yl-2-pyrimidinyl)amino]-5-[(4-carboxy-1-oxobutyl)amino]-2,5-dideoxy-;
NAT6-321117

Formula: C27H28N4O5

Spectral Data

1,4:3,6-Dianhydro-2-{[4-(4-biphenylyl)-2-pyrimidinyl]amino}-5-[(4-carboxybutanoyl)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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2268
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/31/2023 3:21:38 PM
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Identificators

InChI InChI=1S/C27H28N4O5/c32-23(7-4-8-24(33)34)29-21-15-35-26-22(16-36-25(21)26)31-27-28-14-13-20(30-27)19-11-9-18(10-12-19)17-5-2-1-3-6-17/h1-3,5-6,9-14,21-22,25-26H,4,7-8,15-16H2,(H,29,32)(H,33,34)(H,28,30,31)/t21-,22-,25+,26+/m0/s1
InChI Key XUGOFNYCFOXAQK-CNXCYTMISA-N
Canonical SMILES C1C(C2C(O1)C(CO2)NC(=O)CCCC(=O)O)NC3=NC=CC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-[1,1'-biphenyl]-4-yl-2-pyrimidinyl)amino]-5-[(4-carboxy-1-oxobutyl)amino]-2,5-dideoxy-;
NAT6-321117

In Other Databases

ChemSpider 10087664
PubChem 11913341