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Heterocyclic compounds

pPB peptide

CAS 663933-94-6Formula C35H60N12O13S2Molar mass 921.07 g/mol
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pPB peptide chemical structure, C35H60N12O13S2, CAS 663933-94-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
663933-94-6
Formula
C35H60N12O13S2
Molar mass
921.07 g/mol
HS code
293499
Category
Heterocyclic compounds

What is pPB peptide?

Plain description, key identifiers and synonyms

pPB peptide is a chemical substance with the molecular formula C35H60N12O13S2 and a molar mass of 921.07 g/mol. Its CAS registry number is 663933-94-6. The IUPAC name is (4R,7S,10S,13S,16S,19S,22S,25R)-25-amino-16-(2-amino-2-oxoethyl)-10-[(2S)-butan-2-yl]-7-(carboxymethyl)-19-[3-(diaminomethylideneamino)propyl]-22-(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,7S,10S,13S,16S,19S,22S,25R)-25-amino-16-(2-amino-2-oxoethyl)-10-[(2S)-butan-2-yl]-7-(carboxymethyl)-19-[3-(diaminomethylideneamino)propyl]-22-(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
CAS number
663933-94-6
Molecular formula
C35H60N12O13S2
InChIKey
RRMCXKSQKFWQIJ-SOEWCGCPSA-N
InChI
InChI=1S/C35H60N12O13S2/c1-5-16(4)26-33(58)44-21(11-25(50)51)30(55)46-23(34(59)60)14-62-61-13-17(36)27(52)45-22(12-48)32(57)41-18(7-6-8-40-35(38)39)28(53)43-20(10-24(37)49)29(54)42-19(9-15(2)3)31(56)47-26/h15-23,26,48H,5-14,36H2,1-4H3,(H2,37,49)(H,41,57)(H,42,54)(H,43,53)(H,44,58)(H,45,52)(H,46,55)(H,47,56)(H,50,51)(H,59,60)(H4,38,39,40)/t16-,17-,18-,19-,20-,21-,22-,23-,26-/m0/s1
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(=O)N)CCCN=C(N)N)CO)N)C(=O)O)CC(=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
921.07 g/molcalc.
Exact mass
920.3844 Dacalc.
LogP (octanol/water)
-5.32calc.
Topological polar surface area
432 Ųcalc.
Hydrogen bond donors
14calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
14calc.
Heavy atoms
62calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
9calc.
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=C1CCSSCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

O=C1CCSSCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN1

1 ring, 33 atoms.

2 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.

pPB peptide suppliers

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

Frequently asked questions

Quick answers about pPB peptide, based on the data on this page

What is pPB peptide?

pPB peptide is a chemical substance with the molecular formula C35H60N12O13S2 and a molar mass of 921.07 g/mol. Its CAS registry number is 663933-94-6.

What is the CAS number of pPB peptide?

The CAS registry number of pPB peptide is 663933-94-6.

What is the molecular formula and weight of pPB peptide?

The molecular formula of pPB peptide is C35H60N12O13S2 and its molar mass is 921.07 g/mol.

Is pPB peptide hazardous?

No GHS hazard classification for pPB peptide 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 pPB peptide?

pPB peptide 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 pPB peptide?

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

What is the price of pPB peptide?

Suppliers quote pPB peptide 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 pPB peptide

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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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