CompoundList
Sign in
Peptides

Buccalin

Also known as Buccalin trifluoroacetate salt, L-Leucinamide, glycyl-L-methionyl-L-alpha-aspartyl-L-seryl-L-leucyl-L-alanyl-L-phenylalanyl-L-serylglycylglycyl-, Buccalin A (trifluoroacetate salt)

CAS 116786-35-7Formula C45H72N12O15SMolar mass 1,053.21 g/mol
3 suppliers listed
Get quotes Compare 3 suppliers
Buccalin chemical structure, C45H72N12O15S, CAS 116786-35-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
116786-35-7
Formula
C45H72N12O15S
Molar mass
1,053.21 g/mol
HS code
293090
Category
Peptides

What is Buccalin?

Plain description, key identifiers and synonyms

Buccalin is a chemical substance with the molecular formula C45H72N12O15S and a molar mass of 1,053.21 g/mol. Its CAS registry number is 116786-35-7. The IUPAC name is (3S)-3-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-3-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CAS number
116786-35-7Other or deprecated CAS: 116844-51-0
Molecular formula
C45H72N12O15S
InChIKey
UAYHBJIRVVTXIJ-XSTSSERXSA-N
InChI
InChI=1S/C45H72N12O15S/c1-23(2)14-28(38(47)65)52-36(62)20-48-35(61)19-49-40(67)32(21-58)56-43(70)30(16-26-10-8-7-9-11-26)53-39(66)25(5)50-42(69)29(15-24(3)4)54-45(72)33(22-59)57-44(71)31(17-37(63)64)55-41(68)27(12-13-73-6)51-34(60)18-46/h7-11,23-25,27-33,58-59H,12-22,46H2,1-6H3,(H2,47,65)(H,48,61)(H,49,67)(H,50,69)(H,51,60)(H,52,62)(H,53,66)(H,54,72)(H,55,68)(H,56,70)(H,57,71)(H,63,64)/t25-,27-,28-,29-,30-,31-,32-,33-/m0/s1
Canonical SMILES
CSCCC(NC(=O)CN)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CC(C)C)C(N)=O
Isomeric SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)CN

Synonyms

  • Buccalin trifluoroacetate salt
  • L-Leucinamide, glycyl-L-methionyl-L-alpha-aspartyl-L-seryl-L-leucyl-L-alanyl-L-phenylalanyl-L-serylglycylglycyl-
  • Buccalin A (trifluoroacetate salt)
  • h-Gmdslafsggl-nh2
  • H-Gly-Met-Asp-Ser-Leu-Ala-Phe-Ser-Gly-Gly-Leu-NH2
  • Glycyl-methionyl-aspartyl-seryl-leucyl-alanyl-phenylalanyl- seryl-glycyl-glycyl-leucinamide

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
1,053.21 g/molcalc.
Exact mass
1,052.4961 Dacalc.
LogP (octanol/water)
-5.89calc.
Topological polar surface area
437.9 Ųcalc.
Hydrogen bond donors
15calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
34calc.
Heavy atoms
73calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
8calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Buccalin suppliers

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

All 3 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

3 suppliers in 2 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Buccalin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Buccalin is traded under.

HS 2930.90Indicative HS code

Organo-sulphur compounds, other

World exports in 2024
$5.83B
+0.1% vs 2023, imports $5.93B
2019 to 2024
Top exporters
  1. China40.7%
  2. United States10.9%
  3. Japan9.3%
Top importers
  1. United States13.3%
  2. Brazil12.6%
  3. China6.6%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Buccalin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Buccalin?

Buccalin is a chemical substance with the molecular formula C45H72N12O15S and a molar mass of 1,053.21 g/mol. Its CAS registry number is 116786-35-7.

What is the CAS number of Buccalin?

The CAS registry number of Buccalin is 116786-35-7. Other or deprecated CAS numbers: 116844-51-0.

What is the molecular formula and weight of Buccalin?

The molecular formula of Buccalin is C45H72N12O15S and its molar mass is 1,053.21 g/mol.

Is Buccalin hazardous?

No GHS hazard classification for Buccalin 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 Buccalin?

Buccalin is usually classified under HS code 293090 (Organo-sulphur compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Buccalin?

CompoundList lists 3 suppliers of Buccalin in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Buccalin?

Suppliers quote Buccalin 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 Buccalin

Get quotes for Buccalin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Buccalin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Buccalin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/buccalin-116786-35-7" title="Buccalin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Peptides or HS code 293090

3 suppliers
Free quotes, contact stays private
Get quotes