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Screening compounds

Ketoace

Also known as Compound 20, (5S-5-Benzamido-4-oxo-6-phenylhexanoyl-L-proline), L-Proline, 1-(5-(benzoylamino)-1,4-dioxo-6-phenylhexyl)-, (S)-

CAS 74075-33-5Formula C24H26N2O5Molar mass 422.48 g/mol
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Ketoace chemical structure, C24H26N2O5, CAS 74075-33-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
74075-33-5
Formula
C24H26N2O5
Molar mass
422.48 g/mol
HS code
293399
Category
Screening compounds

What is Ketoace?

Plain description, key identifiers and synonyms

Ketoace is a chemical substance with the molecular formula C24H26N2O5 and a molar mass of 422.48 g/mol. Its CAS registry number is 74075-33-5. The IUPAC name is (2S)-1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid
CAS number
74075-33-5 CAS number cross-checked
Molecular formula
C24H26N2O5
InChIKey
WZJFKVHMXBGZBQ-PMACEKPBSA-N
InChI
InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1
Canonical SMILES
O=C(NC(Cc1ccccc1)C(=O)CCC(=O)N1CCCC1C(=O)O)c1ccccc1
Isomeric SMILES
C1C[C@H](N(C1)C(=O)CCC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O

Synonyms

  • Compound 20
  • (5S-5-Benzamido-4-oxo-6-phenylhexanoyl-L-proline)
  • L-Proline, 1-(5-(benzoylamino)-1,4-dioxo-6-phenylhexyl)-, (S)-
  • (2S)-1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid
  • Sri 20
  • ((S)-5-benzamido-4-oxo-6-phenylhexanoyl)-L-proline
  • 1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid
  • (5S)-5-[(N-benzoyl)amino]-4-oxo-6-phenyl-hexanoyl-L-proline
  • 1-(5-{[Hydroxy(phenyl)methylidene]amino}-4-oxo-6-phenylhexanoyl)proline
  • (S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrrolidine-2-carboxylic acid
  • 1-[(5S)-5-{[Hydroxy(phenyl)methylidene]amino}-4-oxo-6-phenylhexanoyl]-L-proline

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
422.48 g/molcalc.
Exact mass
422.1842 Dacalc.
LogP (octanol/water)
2.45calc.
Topological polar surface area
103.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
9calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 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(NC(Cc1ccccc1)C(=O)CCC(=O)N1CCCC1)c1ccccc1

O=C(NC(Cc1ccccc1)C(=O)CCC(=O)N1CCCC1)c1ccccc1

3 rings, 28 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.

Ketoace suppliers

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Ketoace 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

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 Ketoace is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ketoace?

Ketoace is a chemical substance with the molecular formula C24H26N2O5 and a molar mass of 422.48 g/mol. Its CAS registry number is 74075-33-5. The IUPAC name is (2S)-1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid.

What is the CAS number of Ketoace?

The CAS registry number of Ketoace is 74075-33-5.

What is the molecular formula and weight of Ketoace?

The molecular formula of Ketoace is C24H26N2O5 and its molar mass is 422.48 g/mol.

What is Ketoace used for?

Known uses and roles of Ketoace include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ketoace hazardous?

No GHS hazard classification for Ketoace 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 Ketoace?

Ketoace is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ketoace?

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

What is the price of Ketoace?

Suppliers quote Ketoace 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 Ketoace

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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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