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Heterocyclic building blocks

Dpdpe tfa

Also known as DPDPE (TFA), (D-Pen2,D-Pen5)-Enkephalin Trifluoroacetate, DPDPE trifluoroacetate

CAS 172888-59-4Formula C32H40F3N5O9S2Molar mass 759.83 g/mol
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Dpdpe tfa chemical structure, C32H40F3N5O9S2, CAS 172888-59-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
172888-59-4
Formula
C32H40F3N5O9S2
Molar mass
759.83 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Dpdpe tfa?

Plain description, key identifiers and synonyms

Dpdpe tfa is a chemical substance with the molecular formula C32H40F3N5O9S2 and a molar mass of 759.83 g/mol. Its CAS registry number is 172888-59-4. The IUPAC name is (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid, 2,2,2-trifluoroacetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid, 2,2,2-trifluoroacetic acid
CAS number
172888-59-4
Molecular formula
C32H40F3N5O9S2
UNII
BC4A79P26E
MDL number
MFCD18633534
InChIKey
LUVILUYVBUMMRG-JZHXPYGKSA-N
InChI
InChI=1S/C30H39N5O7S2.C2HF3O2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29;3-2(4,5)1(6)7/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42);(H,6,7)/t20-,21-,23-,24-;/m0./s1
Canonical SMILES
CC1(C)SSC(C)(C)C(NC(=O)C(N)Cc2ccc(O)cc2)C(=O)NCC(=O)NC(Cc2ccccc2)C(=O)NC1C(=O)O.O=C(O)C(F)(F)F
Isomeric SMILES
CC1([C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(SS1)(C)C)C(=O)O)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C.C(=O)(C(F)(F)F)O

Synonyms

  • DPDPE (TFA)
  • (D-Pen2,D-Pen5)-Enkephalin Trifluoroacetate
  • DPDPE trifluoroacetate
  • [D-Pen2,D-Pen5]enkephalin trifluoroacetate
  • H-Tyr-D-Pen(1)-Gly-Phe-D-Pen(1)-OH trifluoroacetate
  • D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-, cyclic (2-->5)-disulfide, mono(trifluoroacetate) (salt)
  • L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-D-valine,cyclic(2-->5)-disulfide,trifluoroacetatesalt
  • L-Tyrosyl-D-penicillamyl-glycyl-L-phenylalanyl-D-penicillamine (2->5)-disulfide trifluoroacetate

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
759.83 g/molcalc.
Exact mass
759.222 Dacalc.
LogP (octanol/water)
1.75calc.
Topological polar surface area
237.3 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
51calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
4calc.
Components
2calc.
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=C(CCc1ccccc1)NC1CSSCCNC(=O)C(Cc2ccccc2)NC(=O)CNC1=O

O=C(CCc1ccccc1)NC1CSSCCNC(=O)C(Cc2ccccc2)NC(=O)CNC1=O

3 rings, 35 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.

Dpdpe tfa suppliers

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Dpdpe tfa 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 Dpdpe tfa is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Dpdpe tfa, based on the data on this page

What is Dpdpe tfa?

Dpdpe tfa is a chemical substance with the molecular formula C32H40F3N5O9S2 and a molar mass of 759.83 g/mol. Its CAS registry number is 172888-59-4.

What is the CAS number of Dpdpe tfa?

The CAS registry number of Dpdpe tfa is 172888-59-4.

What is the molecular formula and weight of Dpdpe tfa?

The molecular formula of Dpdpe tfa is C32H40F3N5O9S2 and its molar mass is 759.83 g/mol.

What is Dpdpe tfa used for?

Known uses and roles of Dpdpe tfa include building blocks in research and laboratory.

Is Dpdpe tfa hazardous?

No GHS hazard classification for Dpdpe tfa 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 Dpdpe tfa?

Dpdpe tfa is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dpdpe tfa?

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

What is the price of Dpdpe tfa?

Suppliers quote Dpdpe tfa 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 Dpdpe tfa

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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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