Unguisin E

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Systematic / IUPAC Name: 3-(1H-Indol-3-ylmethyl)-9,15-diisopropyl-6,18-dimethyl-12-(1-phenylethyl)-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptone

ID: Reference8060

Other Names: 1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-bis(1-methylethyl)-12-(1-phenylethyl)-

Formula: C41H56N8O7

Spectral Data

Unguisin E 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2018 7:35:40 AM
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Identificators

InChI InChI=1S/C41H56N8O7/c1-22(2)33-39(54)45-26(7)36(51)46-31(20-28-21-43-30-17-12-11-16-29(28)30)38(53)42-19-13-18-32(50)44-25(6)37(52)47-34(23(3)4)40(55)49-35(41(56)48-33)24(5)27-14-9-8-10-15-27/h8-12,14-17,21-26,31,33-35,43H,13,18-20H2,1-7H3,(H,42,53)(H,44,50)(H,45,54)(H,46,51)(H,47,52)(H,48,56)(H,49,55)
InChI Key NZNSTOHSZZLSNP-UHFFFAOYSA-N
Canonical SMILES CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC(=O)N1)CC2=CNC3=CC=CC=C32)C)C(C)C)C(C)C4=CC=CC=C4)C(C)C
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Other Names 1,4,7,10,13,16,19-Heptaazacyclotricosane-2,5,8,11,14,17,20-heptone, 3-(1H-indol-3-ylmethyl)-6,18-dimethyl-9,15-bis(1-methylethyl)-12-(1-phenylethyl)-

In Other Databases

PubChem 23986017
ChemSpider 29814071