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Peptides

Arylomycin A3

CAS 459844-21-4Formula C42H60N6O11Molar mass 824.97 g/mol
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Arylomycin A3 chemical structure, C42H60N6O11, CAS 459844-21-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
459844-21-4
Formula
C42H60N6O11
Molar mass
824.97 g/mol
HS code
293379
Category
Peptides

What is Arylomycin A3?

Plain description, key identifiers and synonyms

Arylomycin A3 is an oligopeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(11S)-14-[[2-[[(2R)-2-[[(2R)-2-[dodecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
CAS number
459844-21-4
Molecular formula
C42H60N6O11
InChIKey
QAHUKEDKLUUKAN-GYPJZMARSA-N
InChI
InChI=1S/C42H60N6O11/c1-6-7-8-9-10-11-12-13-14-15-35(52)47(4)32(24-49)40(56)44-25(2)38(54)43-23-36(53)48(5)37-28-17-19-34(51)30(22-28)29-20-27(16-18-33(29)50)21-31(42(58)59)46-39(55)26(3)45-41(37)57/h16-20,22,25-26,31-32,37,49-51H,6-15,21,23-24H2,1-5H3,(H,43,54)(H,44,56)(H,45,57)(H,46,55)(H,58,59)/t25-,26+,31?,32-,37?/m1/s1
Canonical SMILES
CCCCCCCCCCCC(=O)N(C)C(CO)C(=O)NC(C)C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O
Isomeric SMILES
CCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)C1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)CC(NC(=O)[C@@H](NC1=O)C)C(=O)O)O

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
824.97 g/molcalc.
Exact mass
824.432 Dacalc.
LogP (octanol/water)
2.26calc.
Topological polar surface area
255 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
19calc.
Heavy atoms
59calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
5calc.
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)Cc2cccc(c2)-c2cccc(c2)CCN1

O=C1CNC(=O)Cc2cccc(c2)-c2cccc(c2)CCN1

3 rings, 22 atoms.

11 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.

Arylomycin A3 suppliers

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Arylomycin A3 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 Arylomycin A3 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 Arylomycin A3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Arylomycin A3, based on the data on this page

What is Arylomycin A3?

Arylomycin A3 is an oligopeptide.

What is the CAS number of Arylomycin A3?

The CAS registry number of Arylomycin A3 is 459844-21-4.

What is the molecular formula and weight of Arylomycin A3?

The molecular formula of Arylomycin A3 is C42H60N6O11 and its molar mass is 824.97 g/mol.

Is Arylomycin A3 hazardous?

No GHS hazard classification for Arylomycin A3 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 Arylomycin A3?

Arylomycin A3 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 Arylomycin A3?

Post a free request on CompoundList and suppliers of Arylomycin A3 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Arylomycin A3?

Suppliers quote Arylomycin A3 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 Arylomycin A3

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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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