Products for Research Use Only

CGP-53437

CAT: 0013-GTR19209602-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19209602-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CGP-53437 is a novel small molecule that acts as a dual inhibitor, targeting both HIV-1 protease and the Cryptococcus neoformans aspartyl peptidase May1. This compound is a valuable research tool for studying protease function and pathogenicity in models of HIV and cryptococcal infection.
CAS Number
150736-68-8
Smiles
[C@@H] (C (=O) N1CCOCC1) (CC2=CC=CC=C2) NC ([C@@H] (NC ([C@H] (CC3=CC=CC=C3) C[C@@H] ([C@H] (CC4=CC=CC=C4) NC (OC (C) (C) C) =O) O) =O) [C@H] (C) C) =O
Molecular Formula
C42H56N4O7
Molecular Weight
728.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Boc-Phe-psi(CH(OH)CH2)-Phe-Val-Phe-morpholine
CAS Number150736-68-8
PubChem CID5464453
IUPAC Nametert-butyl N-[(3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
Molecular FormulaC42H56N4O7
Molecular Weight728.9
XLogP5.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Heavy Atom Count53
Formal Charge0
Complexity1130
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCOCC2)NC(=O)[C@H](CC3=CC=CC=C3)C[C@@H](C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C42H56N4O7/c1-29(2)37(39(49)43-35(27-32-19-13-8-14-20-32)40(50)46-21-23-52-24-22-46)45-38(48)33(25-30-15-9-6-10-16-30)28-36(47)34(26-31-17-11-7-12-18-31)44-41(51)53-42(3,4)5/h6-20,29,33-37,47H,21-28H2,1-5H3,(H,43,49)(H,44,51)(H,45,48)/t33-,34?,35+,36+,37+/m1/s1
InChIKey
NAJDZKGRZBLNON-HUIYFVCCSA-N
Chemical Structure
2D Structure
2D structure of Boc-Phe-psi(CH(OH)CH2)-Phe-Val-Phe-morpholine
CAS: 150736-68-8
CID: 5464453
Formula: C42H56N4O7
MW: 728.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight728.9
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass728.41490014
Monoisotopic Mass728.41490014
Topological Polar Surface Area146 Ų
Heavy Atom Count53
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes