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Polydiscamide D

CAS 1005109-68-1Formula C73H105BrN18O21SMolar mass 1,682.72 g/mol
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Polydiscamide D chemical structure, C73H105BrN18O21S, CAS 1005109-68-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1005109-68-1
Formula
C73H105BrN18O21S
Molar mass
1,682.72 g/mol
HS code
293499
Category
Peptides

What is Polydiscamide D?

Plain description, key identifiers and synonyms

polydiscamide D has been reported in Ircinia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(3R,6S,9S,10R,13R,16S)-6-(3-amino-3-oxopropyl)-9-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-3-(4-bromophenyl)-2-[[(2R)-2-formamidopropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfopropanoyl]amino]-7,10-dimethyl-2,5,8,12,15-pentaoxo-3-propan-2-yl-11-oxa-1,4,7,14-tetrazabicyclo[14.3.0]nonadecan-13-yl]acetic acid
CAS number
1005109-68-1
Molecular formula
C73H105BrN18O21S
InChIKey
JYQSNSNXXDQETE-PARQPDGVSA-N
InChI
InChI=1S/C73H105BrN18O21S/c1-36(2)55(86-65(103)52-20-14-28-91(52)68(106)47(83-59(97)38(5)80-35-93)30-40-21-23-42(74)24-22-40)66(104)89-58(73(7,8)9)67(105)82-46(31-41-33-79-44-17-12-11-16-43(41)44)61(99)81-45(18-13-27-78-72(76)77)60(98)85-49(34-114(110,111)112)62(100)88-57-39(6)113-71(109)48(32-54(95)96)84-64(102)51-19-15-29-92(51)70(108)56(37(3)4)87-63(101)50(25-26-53(75)94)90(10)69(57)107/h11-12,16-17,21-24,33,35-39,45-52,55-58,79H,13-15,18-20,25-32,34H2,1-10H3,(H2,75,94)(H,80,93)(H,81,99)(H,82,105)(H,83,97)(H,84,102)(H,85,98)(H,86,103)(H,87,101)(H,88,100)(H,89,104)(H,95,96)(H4,76,77,78)(H,110,111,112)/t38-,39-,45+,46-,47+,48-,49-,50+,51+,52+,55-,56-,57+,58-/m1/s1
Canonical SMILES
CC(NC=O)C(=O)NC(Cc1ccc(Br)cc1)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NC(CS(=O)(=O)O)C(=O)NC1C(=O)N(C)C(CCC(N)=O)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)OC1C)C(C)(C)C)C(C)C
Isomeric SMILES
C[C@@H]1[C@@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)O1)CC(=O)O)C(C)C)CCC(=O)N)C)NC(=O)[C@@H](CS(=O)(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CC=C(C=C6)Br)NC(=O)[C@@H](C)NC=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
1,682.72 g/molcalc.
Exact mass
1,680.6606 Dacalc.
LogP (octanol/water)
-2.99calc.
Topological polar surface area
593.2 Ųcalc.
Hydrogen bond donors
16calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
34calc.
Heavy atoms
114calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
14calc.
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=C1CNC(=O)C(NC(=O)CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)CCc2ccccc2)COC(=O)CNC(=O)C2CCCN2C(=O)CN1

O=C1CNC(=O)C(NC(=O)CNC(=O)CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)CCc2ccccc2)COC(=O)CNC(=O)C2CCCN2C(=O)CN1

6 rings, 72 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.

Polydiscamide D suppliers

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

Frequently asked questions

Quick answers about Polydiscamide D, based on the data on this page

What is Polydiscamide D?

polydiscamide D has been reported in Ircinia.

What is the CAS number of Polydiscamide D?

The CAS registry number of Polydiscamide D is 1005109-68-1.

What is the molecular formula and weight of Polydiscamide D?

The molecular formula of Polydiscamide D is C73H105BrN18O21S and its molar mass is 1,682.72 g/mol.

Is Polydiscamide D hazardous?

No GHS hazard classification for Polydiscamide D 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 Polydiscamide D?

Polydiscamide D 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 Polydiscamide D?

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

What is the price of Polydiscamide D?

Suppliers quote Polydiscamide D 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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