Tentoxin

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Systematic / IUPAC Name: (3S,6S,12Z)-12-Benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone

ID: Reference6168

Other Names: (3S,6S,12Z)-12-Benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone;
Cyclo(N-methyl-L-alanyl-L-leucyl-α,β-didehydro-N-methylphenylalanylglycyl), (Z)-;
Cycloleucyl-N-methylalanylglycyl-N-methyl dehydrophenylalanine

Formula: C22H30N4O4

Class: Natural Toxins

Spectral Data

Tentoxin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4313
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/14/2016 11:20:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1
InChI Key SIIRBDOFKDACOK-LFXZBHHUSA-N
Canonical SMILES CC1C(=O)NC(C(=O)N(C(=CC2=CC=CC=C2)C(=O)NCC(=O)N1C)C)CC(C)C
CAS
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Other Names (3S,6S,12Z)-12-Benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone;
Cyclo(N-methyl-L-alanyl-L-leucyl-α,β-didehydro-N-methylphenylalanylglycyl), (Z)-;
Cycloleucyl-N-methylalanylglycyl-N-methyl dehydrophenylalanine

In Other Databases

Wikipedia Tentoxin
ChemSpider 4444584
ChemIDPlus 028540821
PubChem 5281143
KEGG C08441