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Heterocyclic building blocks

Cycloleonuripeptide E

CAS 887236-41-1Formula C43H65N9O10Molar mass 868.05 g/mol
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Cycloleonuripeptide E chemical structure, C43H65N9O10, CAS 887236-41-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
887236-41-1
Formula
C43H65N9O10
Molar mass
868.05 g/mol
HS code
293379
Category
Heterocyclic building blocks

What is Cycloleonuripeptide E?

Plain description, key identifiers and synonyms

cyclo[Ala-Ala-Phe-Thr-Pro-Ala-Pro-Ile-Val] has been reported in Leonurus japonicus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6S,12S,15S,18S,21S,24S,27S,30S)-15-benzyl-27-[(2S)-butan-2-yl]-12-[(1R)-1-hydroxyethyl]-3,18,21-trimethyl-24-propan-2-yl-1,4,10,13,16,19,22,25,28-nonazatricyclo[28.3.0.06,10]tritriacontane-2,5,11,14,17,20,23,26,29-nonone
CAS number
887236-41-1
Molecular formula
C43H65N9O10
InChIKey
NPYYAXZHUVOXOW-HGKKAUPYSA-N
InChI
InChI=1S/C43H65N9O10/c1-9-23(4)33-41(60)48-32(22(2)3)40(59)45-24(5)35(54)44-25(6)36(55)47-29(21-28-15-11-10-12-16-28)37(56)50-34(27(8)53)43(62)52-20-14-17-30(52)38(57)46-26(7)42(61)51-19-13-18-31(51)39(58)49-33/h10-12,15-16,22-27,29-34,53H,9,13-14,17-21H2,1-8H3,(H,44,54)(H,45,59)(H,46,57)(H,47,55)(H,48,60)(H,49,58)(H,50,56)/t23-,24-,25-,26-,27+,29-,30-,31-,32-,33-,34-/m0/s1
Canonical SMILES
CCC(C)C1NC(=O)C2CCCN2C(=O)C(C)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(Cc2ccccc2)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C(C)C)NC1=O
Isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)C)[C@@H](C)O)CC4=CC=CC=C4)C)C)C(C)C

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
868.05 g/molcalc.
Exact mass
867.4854 Dacalc.
LogP (octanol/water)
-1.24calc.
Topological polar surface area
264.6 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
6calc.
Heavy atoms
62calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
11calc.
Lipinski rule of five
Fails (2 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)C2CCCN2C(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CN1

O=C1CNC(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C2CCCN2C(=O)CNC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)CN1

4 rings, 49 atoms.

1 other chemical 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.

Cycloleonuripeptide E suppliers

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Cycloleonuripeptide E 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 Cycloleonuripeptide E 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 Cycloleonuripeptide E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cycloleonuripeptide E, based on the data on this page

What is Cycloleonuripeptide E?

cyclo[Ala-Ala-Phe-Thr-Pro-Ala-Pro-Ile-Val] has been reported in Leonurus japonicus.

What is the CAS number of Cycloleonuripeptide E?

The CAS registry number of Cycloleonuripeptide E is 887236-41-1.

What is the molecular formula and weight of Cycloleonuripeptide E?

The molecular formula of Cycloleonuripeptide E is C43H65N9O10 and its molar mass is 868.05 g/mol.

What is Cycloleonuripeptide E used for?

Known uses and roles of Cycloleonuripeptide E include building blocks in research and laboratory.

Is Cycloleonuripeptide E hazardous?

No GHS hazard classification for Cycloleonuripeptide E 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 Cycloleonuripeptide E?

Cycloleonuripeptide E 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 Cycloleonuripeptide E?

Post a free request on CompoundList and suppliers of Cycloleonuripeptide E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cycloleonuripeptide E?

Suppliers quote Cycloleonuripeptide E 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 Cycloleonuripeptide E

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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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