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Cyclothialidine E

CAS 194276-79-4Formula C25H33N5O11SMolar mass 611.63 g/mol
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Cyclothialidine E chemical structure, C25H33N5O11S, CAS 194276-79-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
194276-79-4
Formula
C25H33N5O11S
Molar mass
611.63 g/mol
HS code
293499
Category
Peptides

What is Cyclothialidine E?

Plain description, key identifiers and synonyms

Cyclothialidine E is an oligopeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S)-4-amino-5-[(2S,3R)-2-[[(5R,8S)-5-carbamoyl-14,16-dihydroxy-13-methyl-7,11-dioxo-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-8-yl]carbamoyl]-3-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid
CAS number
194276-79-4
Molecular formula
C25H33N5O11S
InChIKey
PVRMXRCYXJPYJV-MOMPZSSISA-N
InChI
InChI=1S/C25H33N5O11S/c1-10-16(32)6-17(33)11-8-42-9-14(21(27)36)29-22(37)13(7-41-25(40)19(10)11)28-23(38)20-15(31)4-5-30(20)24(39)12(26)2-3-18(34)35/h6,12-15,20,31-33H,2-5,7-9,26H2,1H3,(H2,27,36)(H,28,38)(H,29,37)(H,34,35)/t12-,13-,14-,15+,20-/m0/s1
Canonical SMILES
Cc1c(O)cc(O)c2c1C(=O)OCC(NC(=O)C1C(O)CCN1C(=O)C(N)CCC(=O)O)C(=O)NC(C(N)=O)CSC2
Isomeric SMILES
CC1=C2C(=C(C=C1O)O)CSC[C@H](NC(=O)[C@H](COC2=O)NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H](CCC(=O)O)N)O)C(=O)N

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
611.63 g/molcalc.
Exact mass
611.1897 Dacalc.
LogP (octanol/water)
-2.58calc.
Topological polar surface area
271.9 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
7calc.
Heavy atoms
42calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (3 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=C1OCC(NC(=O)C2CCCN2)C(=O)NCCSCc2ccccc21

O=C1OCC(NC(=O)C2CCCN2)C(=O)NCCSCc2ccccc21

3 rings, 26 atoms.

4 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.

Cyclothialidine E suppliers

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Cyclothialidine 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Cyclothialidine E is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Cyclothialidine E?

Cyclothialidine E is an oligopeptide.

What is the CAS number of Cyclothialidine E?

The CAS registry number of Cyclothialidine E is 194276-79-4.

What is the molecular formula and weight of Cyclothialidine E?

The molecular formula of Cyclothialidine E is C25H33N5O11S and its molar mass is 611.63 g/mol.

Is Cyclothialidine E hazardous?

No GHS hazard classification for Cyclothialidine 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 Cyclothialidine E?

Cyclothialidine E is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclothialidine E?

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

What is the price of Cyclothialidine E?

Suppliers quote Cyclothialidine 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 Cyclothialidine 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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