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Arylomycin A2

CAS 459644-20-3Formula C42H60N6O11Molar mass 824.97 g/mol
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Arylomycin A2 chemical structure, C42H60N6O11, CAS 459644-20-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
459644-20-3
Formula
C42H60N6O11
Molar mass
824.97 g/mol
HS code
293379
Category
Peptides

What is Arylomycin A2?

Plain description, key identifiers and synonyms

Arylomycin A2 has been reported in Streptomyces filamentosus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8S,11S,14S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(10-methylundecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-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
459644-20-3Other or deprecated CAS: 459844-20-3
Molecular formula
C42H60N6O11
InChIKey
YFSXYWAZCKMYJN-JBBOGOJTSA-N
InChI
InChI=1S/C42H60N6O11/c1-24(2)13-11-9-7-8-10-12-14-35(52)47(5)32(23-49)40(56)44-25(3)38(54)43-22-36(53)48(6)37-28-16-18-34(51)30(21-28)29-19-27(15-17-33(29)50)20-31(42(58)59)46-39(55)26(4)45-41(37)57/h15-19,21,24-26,31-32,37,49-51H,7-14,20,22-23H2,1-6H3,(H,43,54)(H,44,56)(H,45,57)(H,46,55)(H,58,59)/t25-,26+,31+,32-,37+/m1/s1
Canonical SMILES
CC(C)CCCCCCCCC(=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
C[C@H]1C(=O)N[C@@H](CC2=CC(=C(C=C2)O)C3=C(C=CC(=C3)[C@@H](C(=O)N1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)N(C)C(=O)CCCCCCCCC(C)C)O)C(=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)
2.11calc.
Topological polar surface area
255 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
18calc.
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 A2 suppliers

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Arylomycin A2 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 A2 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 A2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Arylomycin A2, based on the data on this page

What is Arylomycin A2?

Arylomycin A2 has been reported in Streptomyces filamentosus.

What is the CAS number of Arylomycin A2?

The CAS registry number of Arylomycin A2 is 459644-20-3. Other or deprecated CAS numbers: 459844-20-3.

What is the molecular formula and weight of Arylomycin A2?

The molecular formula of Arylomycin A2 is C42H60N6O11 and its molar mass is 824.97 g/mol.

Is Arylomycin A2 hazardous?

No GHS hazard classification for Arylomycin A2 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 A2?

Arylomycin A2 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 A2?

Post a free request on CompoundList and suppliers of Arylomycin A2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Arylomycin A2?

Suppliers quote Arylomycin A2 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 A2

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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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