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KetoACE

CAT: 0013-GTR19223430-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223430-02Size:500 mg
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Description
KetoACE is a tripeptide mimetic where the Phe-Gly amide bond is replaced by a ketomethylene group. This modification enhances its stability against proteases, making it a valuable tool for studying peptide metabolism and enzyme inhibition in biochemical and pharmacological research, both in vitro and in vivo.
CAS Number
74075-33-5
Smiles
C (CCC ([C@H] (CC1=CC=CC=C1) NC (=O) C2=CC=CC=C2) =O) (=O) N3[C@H] (C (O) =O) CCC3
Molecular Formula
C24H26N2O5
Molecular Weight
422.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Compound 20

amide bond between Phe-Gly of tripeptide replaced with ketomethylene; structure given in first source

CAS Number74075-33-5
PubChem CID156271
IUPAC Name(2S)-1-[(5S)-5-benzamido-4-oxo-6-phenylhexanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC24H26N2O5
Molecular Weight422.5
XLogP2.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity652
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
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
InChIKey
WZJFKVHMXBGZBQ-PMACEKPBSA-N
Chemical Structure
2D Structure
2D structure of Compound 20
CAS: 74075-33-5
CID: 156271
Formula: C24H26N2O5
MW: 422.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass422.18417193
Monoisotopic Mass422.18417193
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T32384-01KetoACE

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