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Daaccal

Also known as 2-Cys-5-cys-7-mearg-8-leu-dynorphin A (1-9)-NH2, Dynorphin A amide (1-9), cys(2)-cys(5)-mearg(7)-leu(8)-, Dynorphin A amide (1-9), cysteinyl(2)-cysteinyl(5)-methylarginyl(7)-leucine(8)-

CAS 103614-06-8Formula C51H81N19O10S2Molar mass 1,184.47 g/mol
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Daaccal chemical structure, C51H81N19O10S2, CAS 103614-06-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
103614-06-8
Formula
C51H81N19O10S2
Molar mass
1,184.47 g/mol
HS code
293090
Category
Peptides

What is Daaccal?

Plain description, key identifiers and synonyms

Daaccal is a chemical substance with the molecular formula C51H81N19O10S2 and a molar mass of 1,184.47 g/mol. Its CAS registry number is 103614-06-8. The IUPAC name is (2R)-N-[(2S)-1-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylidenepropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-N-[(2S)-1-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylidenepropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
CAS number
103614-06-8 CAS number cross-checked
Molecular formula
C51H81N19O10S2
InChIKey
HZVKGQPGVYVRKU-XOFRUKGJSA-N
InChI
InChI=1S/C51H81N19O10S2/c1-28(2)22-36(67-43(75)33(59-3)12-7-19-60-49(53)54)46(78)65-34(13-8-20-61-50(55)56)44(76)70-45(77)35(14-9-21-62-51(57)58)66-48(80)39(27-82)69-47(79)37(24-29-10-5-4-6-11-29)64-40(72)25-63-42(74)38(26-81)68-41(73)32(52)23-30-15-17-31(71)18-16-30/h4-6,10-11,15-18,26,28,32-39,59,71,82H,7-9,12-14,19-25,27,52H2,1-3H3,(H,63,74)(H,64,72)(H,65,78)(H,66,80)(H,67,75)(H,68,73)(H,69,79)(H4,53,54,60)(H4,55,56,61)(H4,57,58,62)(H,70,76,77)/t32-,33-,34-,35-,36+,37-,38+,39-/m0/s1
Canonical SMILES
CNC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(C=S)NC(=O)C(N)Cc1ccc(O)cc1
Isomeric SMILES
CC(C)C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C=S)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)NC(=O)[C@H](CCCN=C(N)N)NC

Synonyms

  • 2-Cys-5-cys-7-mearg-8-leu-dynorphin A (1-9)-NH2
  • Dynorphin A amide (1-9), cys(2)-cys(5)-mearg(7)-leu(8)-
  • Dynorphin A amide (1-9), cysteinyl(2)-cysteinyl(5)-methylarginyl(7)-leucine(8)-
  • L-Argininamide, L-tyrosyl-D-cysteinylglycyl-L-phenylalanyl-L-cysteinyl-L-arginyl-N2-methyl-L-arginyl-D-leucyl-, cyclic (2-5)-disulfide

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
1,184.47 g/molcalc.
Exact mass
1,183.5855 Dacalc.
LogP (octanol/water)
-5.1calc.
Topological polar surface area
501.4 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
37calc.
Heavy atoms
82calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.51calc.
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, O=C(CCc1ccccc1)NCC(=O)NCC(=O)NCCc1ccccc1

O=C(CCc1ccccc1)NCC(=O)NCC(=O)NCCc1ccccc1

2 rings, 27 atoms.

297 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.

Daaccal suppliers

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

Frequently asked questions

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

What is Daaccal?

Daaccal is a chemical substance with the molecular formula C51H81N19O10S2 and a molar mass of 1,184.47 g/mol. Its CAS registry number is 103614-06-8.

What is the CAS number of Daaccal?

The CAS registry number of Daaccal is 103614-06-8.

What is the molecular formula and weight of Daaccal?

The molecular formula of Daaccal is C51H81N19O10S2 and its molar mass is 1,184.47 g/mol.

Is Daaccal hazardous?

No GHS hazard classification for Daaccal 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 Daaccal?

Daaccal 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 Daaccal?

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What is the price of Daaccal?

Suppliers quote Daaccal 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

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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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