1,4:3,6-Dianhydro-2-{[(3-cyanophenyl)carbamoyl]amino}-2,5-dideoxy-5-{5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl}-L-iditol

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-6-[5-[3-(Dimethylamino)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(3-cyanophenyl)urea

ID: Reference10502

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2,5-dideoxy-5-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298302

Formula: C23H24N8O4

Spectral Data

1,4:3,6-Dianhydro-2-{[(3-cyanophenyl)carbamoyl]amino}-2,5-dideoxy-5-{5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl}-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 2
No. of Spectra 5029
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/28/2021 8:11:00 AM
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Identificators

InChI InChI=1S/C23H24N8O4/c1-30(2)16-7-4-8-17(10-16)35-23-27-28-29-31(23)19-13-34-20-18(12-33-21(19)20)26-22(32)25-15-6-3-5-14(9-15)11-24/h3-10,18-21H,12-13H2,1-2H3,(H2,25,26,32)/t18-,19-,20+,21+/m0/s1
InChI Key DQJGFWALIAGFGP-UWHLTILDSA-N
Canonical SMILES CN(C)C1=CC(=CC=C1)OC2=NN=NN2C3COC4C3OCC4NC(=O)NC5=CC=CC(=C5)C#N
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[[[(3-cyanophenyl)amino]carbonyl]amino]-2,5-dideoxy-5-[5-[3-(dimethylamino)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298302

In Other Databases

PubChem 11879572
ChemSpider 10053900