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Cyclopropane- (S, R, S) -AHPC

CAT: 0013-GTR19238282-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238282-01Size:10 mg
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Description
E3ligaseLigand 30 is a small molecule compound designed to bind and recruit specific E3 ubiquitin ligases. It is utilized in PROTAC development and targeted protein degradation research, enabling the study of protein function in both cellular and in vivo models.
CAS Number
2502205-74-3
Smiles
N (C (=O) [C@H]1N (C ([C@H] (C (C) (C) C) N) =O) C[C@H] (O) C1) C2 (CC2) C3=CC=C (C=C3) C4=C (C) N=CS4
Molecular Formula
C24H32N4O3S
Molecular Weight
456.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclopropane-(S,R,S)-AHPC
CAS Number2502205-74-3
PubChem CID155189910
IUPAC Name(2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
Molecular FormulaC24H32N4O3S
Molecular Weight456.6
XLogP2.4
Topological Polar Surface Area137
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity715
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)C3(CC3)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](C(C)(C)C)N)O
InChI
InChI=1S/C24H32N4O3S/c1-14-19(32-13-26-14)15-5-7-16(8-6-15)24(9-10-24)27-21(30)18-11-17(29)12-28(18)22(31)20(25)23(2,3)4/h5-8,13,17-18,20,29H,9-12,25H2,1-4H3,(H,27,30)/t17-,18+,20-/m1/s1
InChIKey
TUDVLRFWQXQVGH-WSTZPKSXSA-N
Chemical Structure
2D Structure
2D structure of Cyclopropane-(S,R,S)-AHPC
CAS: 2502205-74-3
CID: 155189910
Formula: C24H32N4O3S
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass456.21951207
Monoisotopic Mass456.21951207
Topological Polar Surface Area137 Ų
Heavy Atom Count32
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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