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DGRX-hydentation

Also known as DGRX-hydentation free base

CAS 2820169-15-9Formula C82H103ClN18O16Molar mass 1,632.29 g/mol
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DGRX-hydentation chemical structure, C82H103ClN18O16, CAS 2820169-15-9
2D chemical structure

Key facts

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All properties
CAS number
2820169-15-9
Formula
C82H103ClN18O16
Molar mass
1,632.29 g/mol
HS code
293339
Category
Peptides

What is DGRX-hydentation?

Plain description, key identifiers and synonyms

DGRX-hydentation is a chemical substance with the molecular formula C82H103ClN18O16 and a molar mass of 1,632.29 g/mol. Its CAS registry number is 2820169-15-9. The IUPAC name is (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[4-[[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]phenyl]propanoyl]amino]-3-[4-(carbamoylamino)phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[4-[[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]phenyl]propanoyl]amino]-3-[4-(carbamoylamino)phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CAS number
2820169-15-9
Molecular formula
C82H103ClN18O16
UNII
46QG5HSS8U
InChIKey
HYEREBNIDPRSAG-YAVPXVOBSA-N
InChI
InChI=1S/C82H103ClN18O16/c1-45(2)35-60(71(106)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-73(108)63(38-51-23-30-58(31-24-51)91-81(85)116)95-75(110)64(39-50-21-28-57(29-22-50)90-69(104)42-66-77(112)100-82(117)99-66)97-78(113)67(44-102)98-76(111)65(41-53-13-11-32-86-43-53)96-74(109)62(37-49-19-26-56(83)27-20-49)94-72(107)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,104)(H,92,106)(H,93,108)(H,94,107)(H,95,110)(H,96,109)(H,97,113)(H,98,111)(H3,85,91,116)(H2,99,100,112,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66-,67+,68+/m1/s1
Canonical SMILES
CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(NC(=O)CC2NC(=O)NC2=O)cc1)C(=O)NC(Cc1ccc(NC(N)=O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O
Isomeric SMILES
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)NC(=O)C[C@@H]4C(=O)NC(=O)N4)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(C=C6)Cl)NC(=O)[C@@H](CC7=CC8=CC=CC=C8C=C7)NC(=O)C

Synonyms

  • DGRX-hydentation free base

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
1,632.29 g/molcalc.
Exact mass
1,630.7488 Dacalc.
LogP (octanol/water)
1.51calc.
Topological polar surface area
512.9 Ųcalc.
Hydrogen bond donors
17calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
42calc.
Heavy atoms
117calc.
Rings
8calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
11calc.
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(CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(NC(=O)CC2NC(=O)NC2=O)cc1)NC(=O)CNC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccccc1)NC(=O)CCc1ccc2ccccc2c1)NCC(=O)N1CCCC1

O=C(CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(NC(=O)CC2NC(=O)NC2=O)cc1)NC(=O)CNC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccccc1)NC(=O)CCc1ccc2ccccc2c1)NCC(=O)N1CCCC1

8 rings, 86 atoms.

No other chemical in our database has 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.

DGRX-hydentation suppliers

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DGRX-hydentation 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 DGRX-hydentation is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about DGRX-hydentation, based on the data on this page

What is DGRX-hydentation?

DGRX-hydentation is a chemical substance with the molecular formula C82H103ClN18O16 and a molar mass of 1,632.29 g/mol. Its CAS registry number is 2820169-15-9.

What is the CAS number of DGRX-hydentation?

The CAS registry number of DGRX-hydentation is 2820169-15-9.

What is the molecular formula and weight of DGRX-hydentation?

The molecular formula of DGRX-hydentation is C82H103ClN18O16 and its molar mass is 1,632.29 g/mol.

Is DGRX-hydentation hazardous?

No GHS hazard classification for DGRX-hydentation 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 DGRX-hydentation?

DGRX-hydentation is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy DGRX-hydentation?

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

What is the price of DGRX-hydentation?

Suppliers quote DGRX-hydentation 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 DGRX-hydentation

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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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