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Peptides

Arylomycin B1

CAS 459844-24-7Formula C41H57N7O13Molar mass 855.94 g/mol
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Arylomycin B1 chemical structure, C41H57N7O13, CAS 459844-24-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
459844-24-7
Formula
C41H57N7O13
Molar mass
855.94 g/mol
HS code
293379
Category
Peptides

What is Arylomycin B1?

Plain description, key identifiers and synonyms

Arylomycin B1 is an oligopeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(11S)-3,18-dihydroxy-14-[[2-[[(2R)-2-[[(2R)-3-hydroxy-2-[methyl(9-methyldecanoyl)amino]propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-11-methyl-4-nitro-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
459844-24-7
Molecular formula
C41H57N7O13
InChIKey
TXSLSLUAOWKEOP-VYNVUORTSA-N
InChI
InChI=1S/C41H57N7O13/c1-22(2)12-10-8-7-9-11-13-33(51)46(5)31(21-49)39(56)43-23(3)37(54)42-20-34(52)47(6)35-26-14-15-32(50)27(19-26)28-16-25(18-30(36(28)53)48(60)61)17-29(41(58)59)45-38(55)24(4)44-40(35)57/h14-16,18-19,22-24,29,31,35,49-50,53H,7-13,17,20-21H2,1-6H3,(H,42,54)(H,43,56)(H,44,57)(H,45,55)(H,58,59)/t23-,24+,29?,31-,35?/m1/s1
Canonical SMILES
CC(C)CCCCCCCC(=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)Cc2cc(c(O)c([N+](=O)[O-])c2)-c2cc1ccc2O
Isomeric SMILES
C[C@H]1C(=O)NC(CC2=CC(=C(C(=C2)[N+](=O)[O-])O)C3=C(C=CC(=C3)C(C(=O)N1)N(C)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](CO)N(C)C(=O)CCCCCCCC(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
855.94 g/molcalc.
Exact mass
855.4014 Dacalc.
LogP (octanol/water)
1.63calc.
Topological polar surface area
298.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
18calc.
Heavy atoms
61calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.54calc.
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=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 B1 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Arylomycin B1 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 B1 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 B1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Arylomycin B1, based on the data on this page

What is Arylomycin B1?

Arylomycin B1 is an oligopeptide.

What is the CAS number of Arylomycin B1?

The CAS registry number of Arylomycin B1 is 459844-24-7.

What is the molecular formula and weight of Arylomycin B1?

The molecular formula of Arylomycin B1 is C41H57N7O13 and its molar mass is 855.94 g/mol.

Is Arylomycin B1 hazardous?

No GHS hazard classification for Arylomycin B1 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 B1?

Arylomycin B1 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 B1?

Post a free request on CompoundList and suppliers of Arylomycin B1 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Arylomycin B1?

Suppliers quote Arylomycin B1 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 B1

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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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