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

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-6-[5-[3-(Pyrrolidin-1-ylmethyl)phenyl]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

ID: Reference12035

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[3-(1-pyrrolidinylmethyl)phenyl]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-297729

Formula: C26H28F3N7O3

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{5-[3-(1-pyrrolidinylmethyl)phenyl]-1H-tetrazol-1-yl}-5-({[3-(trifluoromethyl)phenyl]carbamoyl}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
No. of Spectral Trees 1
No. of Spectra 2405
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2022 11:58:59 AM
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Identificators

InChI InChI=1S/C26H28F3N7O3/c27-26(28,29)18-7-4-8-19(12-18)30-25(37)31-20-14-38-23-21(15-39-22(20)23)36-24(32-33-34-36)17-6-3-5-16(11-17)13-35-9-1-2-10-35/h3-8,11-12,20-23H,1-2,9-10,13-15H2,(H2,30,31,37)/t20-,21-,22+,23+/m0/s1
InChI Key TZMWOPWRWDKYSF-MYDTUXCISA-N
Canonical SMILES C1CCN(C1)CC2=CC(=CC=C2)C3=NN=NN3C4COC5C4OCC5NC(=O)NC6=CC=CC(=C6)C(F)(F)F
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[5-[3-(1-pyrrolidinylmethyl)phenyl]-1H-tetrazol-1-yl]-5-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-;
NAT6-297729

In Other Databases

PubChem 11886156
ChemSpider 10060479