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Heterocyclic building blocks

Lugdunin

CAS 1989698-37-4Formula C40H62N8O6SMolar mass 783.05 g/mol
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Lugdunin chemical structure, C40H62N8O6S, CAS 1989698-37-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1989698-37-4
Formula
C40H62N8O6S
Molar mass
783.05 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Lugdunin?

Plain description, key identifiers and synonyms

Lugdunin is a thiazolidine-containing homodetic cyclic peptide that is isolated from human nasal bacteria. Exhibits bactericidal activity against many major pathogens including methicillin-resistant Staphylococcus aureus (MRSA). It has a role as a human metabolite and a rat metabolite. It is a homodetic cyclic peptide, a member of indoles, a peptide antibiotic, a member of thiazolidines and a macrocycle.

Lugdunin is an antibiotic.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4R,7S,10R,13S,16R,19S)-7-(1H-indol-3-ylmethyl)-10-(2-methylpropyl)-4,13,16,19-tetra(propan-2-yl)-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosane-2,5,8,11,14,17-hexone
CAS number
1989698-37-4
Molecular formula
C40H62N8O6S
InChIKey
QZNGYMKAHFFKCJ-ZBQZSICZSA-N
InChI
InChI=1S/C40H62N8O6S/c1-19(2)15-27-35(50)45-31(21(5)6)38(53)47-32(22(7)8)39(54)48-33(23(9)10)40-44-29(18-55-40)36(51)46-30(20(3)4)37(52)43-28(34(49)42-27)16-24-17-41-26-14-12-11-13-25(24)26/h11-14,17,19-23,27-33,40-41,44H,15-16,18H2,1-10H3,(H,42,49)(H,43,52)(H,45,50)(H,46,51)(H,47,53)(H,48,54)/t27-,28+,29+,30-,31+,32-,33+,40?/m1/s1
Canonical SMILES
CC(C)CC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(C(C)C)NC(=O)C2CSC(N2)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC1=O
Isomeric SMILES
CC(C)C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C2N[C@@H](CS2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)C(C)C)C(C)C)C(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
783.05 g/molcalc.
Exact mass
782.4513 Dacalc.
LogP (octanol/water)
2.33calc.
Topological polar surface area
202.4 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
55calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
8calc.
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)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CSC(CNC(=O)CN1)N2

O=C1CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CSC(CNC(=O)CN1)N2

4 rings, 39 atoms.

2 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.

Lugdunin suppliers

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Lugdunin 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

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • rat metabolite

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

Frequently asked questions

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

What is Lugdunin?

Lugdunin is a thiazolidine-containing homodetic cyclic peptide that is isolated from human nasal bacteria. Exhibits bactericidal activity against many major pathogens including methicillin-resistant Staphylococcus aureus (MRSA). It has a role as a human metabolite and a rat metabolite.

What is the CAS number of Lugdunin?

The CAS registry number of Lugdunin is 1989698-37-4.

What is the molecular formula and weight of Lugdunin?

The molecular formula of Lugdunin is C40H62N8O6S and its molar mass is 783.05 g/mol.

What is Lugdunin used for?

Known uses and roles of Lugdunin include building blocks in research and laboratory, animal metabolite, eukaryotic metabolite, human metabolite, mammalian metabolite and 2 more.

Is Lugdunin hazardous?

No GHS hazard classification for Lugdunin 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 Lugdunin?

Lugdunin 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 Lugdunin?

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

What is the price of Lugdunin?

Suppliers quote Lugdunin 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 Lugdunin

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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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