1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-5-(5-phenoxy-1H-tetrazol-1-yl)-L-iditol

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-6-(5-Phenoxytetrazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

ID: Reference11060

Other Names: NAT6-298131

Formula: C20H26N6O4

Spectral Data

1,4:3,6-Dianhydro-2-[(cyclohexylcarbamoyl)amino]-2,5-dideoxy-5-(5-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 3668
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/26/2021 8:55:58 AM
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Identificators

InChI InChI=1S/C20H26N6O4/c27-19(21-13-7-3-1-4-8-13)22-15-11-28-18-16(12-29-17(15)18)26-20(23-24-25-26)30-14-9-5-2-6-10-14/h2,5-6,9-10,13,15-18H,1,3-4,7-8,11-12H2,(H2,21,22,27)/t15-,16-,17+,18+/m0/s1
InChI Key VGJCNEUBVHREMP-WNRNVDISSA-N
Canonical SMILES C1CCC(CC1)NC(=O)NC2COC3C2OCC3N4C(=NN=N4)OC5=CC=CC=C5
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Other Names NAT6-298131

In Other Databases

PubChem 11886184
ChemSpider 10060507