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Screening compounds

LL AF283beta

Also known as LL-AF283beta

CAS 135529-34-9Formula C29H40N8O9Molar mass 644.69 g/mol
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LL AF283beta chemical structure, C29H40N8O9, CAS 135529-34-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
135529-34-9
Formula
C29H40N8O9
Molar mass
644.69 g/mol
HS code
293379
Category
Screening compounds

What is LL AF283beta?

Plain description, key identifiers and synonyms

LL AF283beta is a chemical substance with the molecular formula C29H40N8O9 and a molar mass of 644.69 g/mol. Its CAS registry number is 135529-34-9. The IUPAC name is (7R,8S,11S,14S)-14-amino-11-[(2S)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-hydroxypropyl]-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(7R,8S,11S,14S)-14-amino-11-[(2S)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-hydroxypropyl]-5,7,17-trihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.12,6]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid
CAS number
135529-34-9 CAS number cross-checked
Molecular formula
C29H40N8O9
InChIKey
YEUPDZRSIWXIDG-CCXUQAHUSA-N
InChI
InChI=1S/C29H40N8O9/c30-18(2-1-7-34-29(32)33)25(42)35-12-16(38)11-20-27(44)37-23(28(45)46)24(41)17-9-14(4-6-22(17)40)13-3-5-21(39)15(8-13)10-19(31)26(43)36-20/h3-6,8-9,16,18-20,23-24,38-41H,1-2,7,10-12,30-31H2,(H,35,42)(H,36,43)(H,37,44)(H,45,46)(H4,32,33,34)/t16-,18-,19-,20-,23-,24+/m0/s1
SMILES
C1[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)O)C(=O)O)C[C@@H](CNC(=O)[C@H](CCCN=C(N)N)N)O)N

Synonyms

  • LL-AF283beta

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
644.69 g/molcalc.
Exact mass
644.2918 Dacalc.
LogP (octanol/water)
-3.02calc.
Topological polar surface area
322 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
10calc.
Heavy atoms
46calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CCc2cccc(c2)-c2cccc(c2)CCNC(=O)CN1

O=C1CCc2cccc(c2)-c2cccc(c2)CCNC(=O)CN1

3 rings, 23 atoms.

3 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.

LL AF283beta suppliers

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LL AF283beta price

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Uses and applications

What the substance is used for, by industry and function

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 LL AF283beta 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 LL AF283beta is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about LL AF283beta, based on the data on this page

What is LL AF283beta?

LL AF283beta is a chemical substance with the molecular formula C29H40N8O9 and a molar mass of 644.69 g/mol. Its CAS registry number is 135529-34-9.

What is the CAS number of LL AF283beta?

The CAS registry number of LL AF283beta is 135529-34-9.

What is the molecular formula and weight of LL AF283beta?

The molecular formula of LL AF283beta is C29H40N8O9 and its molar mass is 644.69 g/mol.

What is LL AF283beta used for?

Known uses and roles of LL AF283beta include building blocks in research and laboratory and screening compounds in research and laboratory.

Is LL AF283beta hazardous?

No GHS hazard classification for LL AF283beta 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 LL AF283beta?

LL AF283beta 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 LL AF283beta?

Post a free request on CompoundList and suppliers of LL AF283beta will send you quotes. Your contact details stay private until you accept a quote.

What is the price of LL AF283beta?

Suppliers quote LL AF283beta 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 LL AF283beta

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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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