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U 92163

CAT: 0013-GTR19209535-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209535-03Size:100 mg
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Description
U 92163 is a synthetic peptidomimetic inhibitor designed as a transition-state analog. It was instrumental in elucidating the crystallographic structure of HIV-2 protease, facilitating research into antiviral drug design and mechanistic enzymology studies in vitro.
CAS Number
149607-21-6
Smiles
C (N[C@H] (C (N[C@@H] (CC1CCCCC1) [C@H] (C[C@H] (C (NCC (C) (C) C) =O) [C@@H] (C) C) O) =O) CC (N) =O) (=O) C2=NC3=C (C=C2) C=CC=C3
Molecular Formula
C34H51N5O5
Molecular Weight
609.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

U 92163

structure given in first source

CAS Number149607-21-6
PubChem CID3081317
IUPAC NameN-[1-cyclohexyl-5-(2,2-dimethylpropylcarbamoyl)-3-hydroxy-6-methylheptan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Molecular FormulaC34H51N5O5
Molecular Weight609.8
XLogP5.3
Topological Polar Surface Area164
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count44
Formal Charge0
Complexity960
SMILES
CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)C(=O)NCC(C)(C)C
InChI
InChI=1S/C34H51N5O5/c1-21(2)24(31(42)36-20-34(3,4)5)18-29(40)27(17-22-11-7-6-8-12-22)38-33(44)28(19-30(35)41)39-32(43)26-16-15-23-13-9-10-14-25(23)37-26/h9-10,13-16,21-22,24,27-29,40H,6-8,11-12,17-20H2,1-5H3,(H2,35,41)(H,36,42)(H,38,44)(H,39,43)
InChIKey
YFPJVAMWHSOWMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of U 92163
CAS: 149607-21-6
CID: 3081317
Formula: C34H51N5O5
MW: 609.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.8
XLogP35.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass609.38901974
Monoisotopic Mass609.38901974
Topological Polar Surface Area164 Ų
Heavy Atom Count44
Formal Charge0
Complexity960
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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