2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-5-{[4-(4-biphenylyl)-2-pyrimidinyl]amino}-2,5-dideoxy-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-prop-2-enylurea

ID: Reference12615

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-[1,1'-biphenyl]-4-yl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-321080

Formula: C26H27N5O3

Spectral Data

2-[(Allylcarbamoyl)amino]-1,4:3,6-dianhydro-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
No. of Spectral Trees 1
No. of Spectra 2084
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/28/2023 8:23:45 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H27N5O3/c1-2-13-28-26(32)31-22-16-34-23-21(15-33-24(22)23)30-25-27-14-12-20(29-25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-12,14,21-24H,1,13,15-16H2,(H,27,29,30)(H2,28,31,32)/t21-,22-,23+,24+/m0/s1
InChI Key FZWHFFNQCPORPA-CJRSTVEYSA-N
Canonical SMILES C=CCNC(=O)NC1COC2C1OCC2NC3=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]-2,5-dideoxy-5-[[(2-propen-1-ylamino)carbonyl]amino]-;
NAT6-321080

In Other Databases

PubChem 11942696
ChemSpider 10117015