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Screening compounds

Tentoxin

Also known as Cycloleucyl-N-methylalanylglycyl-N-methyl dehydrophenylalanine, (3S,6S,12Z)-12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone, (3S,6S,12Z)-12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

CAS 28540-82-1Formula C22H30N4O4Molar mass 414.51 g/molEC 811-256-5
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Tentoxin chemical structure, C22H30N4O4, CAS 28540-82-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
28540-82-1
Formula
C22H30N4O4
Molar mass
414.51 g/mol
EC number
811-256-5
HS code
293379
Category
Screening compounds

What is Tentoxin?

Plain description, key identifiers and synonyms

tentoxin has been reported in Alternaria porri and Alternaria alternata.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trans-(3S,6S,12Z)-12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CAS number
28540-82-1 CAS number cross-checked
EC number
811-256-5
Molecular formula
C22H30N4O4
UNII
FW4EQ02E0Z
MDL number
MFCD00133844
InChIKey
SIIRBDOFKDACOK-LFXZBHHUSA-N
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
Canonical SMILES
CC(C)CC1NC(=O)C(C)N(C)C(=O)CNC(=O)C(=Cc2ccccc2)N(C)C1=O
Isomeric SMILES
C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\C2=CC=CC=C2)/C(=O)NCC(=O)N1C)C)CC(C)C

Synonyms

  • Cycloleucyl-N-methylalanylglycyl-N-methyl dehydrophenylalanine
  • (3S,6S,12Z)-12-benzylidene-3-isobutyl-1,6,7-trimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
  • (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-(alphaZ)-alpha,beta-didehydro-N-methylphenylalanylglycyl]
  • Tentoxin, analytical standard
  • Tentoxin from Alternaria tenuis
  • Cyclo(N-methyl-L-alanyl-L-leucyl-alpha,beta-didehydro-N-methylphenylalanylglycyl), (Z)-
  • (3S,6S,12Z)-1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylidene)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone
  • Tentoxin Solution in Methanol, 100ug/mL
  • Tentoxin Solution in Acetonitrile, 100ug/mL
  • cyclo(l-leucyl-N-methyl(z)-dehydrophenylalanyl-glycyl-N-methyl-l-alanyl)
  • Cyclo[N-methyl-L-alanyl-L-leucyl-(|AZ)-|A,|A-didehydro-N-methylphenylalanylglycyl]
  • Tentoxin from Alternaria tenuis, Naturally occurring phytotoxic cyclic tetrapeptide
  • (3S,6S,12Z)-12-Benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetrone
  • 1,4,7,10-Tetraazacyclododecane-2,5,8,11-tetrone, 1,6,7-trimethyl-3-(2-methylpropyl)-12-(phenylmethylene)-, (3S,6S,12Z)-
  • Cyclo(N-methyl-l-alanyl-l-leucyl-alpha,beta- didehydro-N-methylphenylalanylglycyl)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
414.51 g/molcalc.
Exact mass
414.2267 Dacalc.
LogP (octanol/water)
0.99calc.
Topological polar surface area
98.82 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
30calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CNC(=O)CNC(=O)C(=Cc2ccccc2)NC(=O)CN1

O=C1CNC(=O)CNC(=O)C(=Cc2ccccc2)NC(=O)CN1

2 rings, 23 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Tentoxin suppliers

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All 4 suppliers
4 of 4 offers

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Where suppliers are based

4 suppliers in 3 countries

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Tentoxin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Tentoxin is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Tentoxin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tentoxin, based on the data on this page

What is Tentoxin?

tentoxin has been reported in Alternaria porri and Alternaria alternata.

What is the CAS number of Tentoxin?

The CAS registry number of Tentoxin is 28540-82-1.

What is the molecular formula and weight of Tentoxin?

The molecular formula of Tentoxin is C22H30N4O4 and its molar mass is 414.51 g/mol.

What is Tentoxin used for?

Known uses and roles of Tentoxin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Tentoxin hazardous?

No GHS hazard classification for Tentoxin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Tentoxin?

Tentoxin is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tentoxin?

CompoundList lists 4 suppliers of Tentoxin in United States, China and Israel. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tentoxin?

Suppliers quote Tentoxin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Tentoxin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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