1,4:3,6-Dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-{[4-(dimethylamino)benzoyl]amino}-L-iditol

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Systematic / IUPAC Name: N-[(3S,3aR,6S,6aR)-6-[4-(Cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(dimethylamino)benzamide

ID: Reference8982

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-[[4-(dimethylamino)benzoyl]amino]-;
NAT6-306452

Formula: C24H33N5O3

Spectral Data

1,4:3,6-Dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-{[4-(dimethylamino)benzoyl]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 FAIMS
No. of Spectral Trees 2
No. of Spectra 3317
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2019 11:44:26 AM
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Identificators

InChI InChI=1S/C24H33N5O3/c1-28(2)19-10-8-17(9-11-19)24(30)25-20-14-31-23-21(15-32-22(20)23)29-13-18(26-27-29)12-16-6-4-3-5-7-16/h8-11,13,16,20-23H,3-7,12,14-15H2,1-2H3,(H,25,30)/t20-,21-,22+,23+/m0/s1
InChI Key SPBFXHGEPVLXLC-MYDTUXCISA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)NC2COC3C2OCC3N4C=C(N=N4)CC5CCCCC5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,5-dideoxy-5-[[4-(dimethylamino)benzoyl]amino]-;
NAT6-306452

In Other Databases

ChemSpider 10041922
PubChem 11867589