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JG 365

CAT: 0013-GTR19200187Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200187Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JG 365 is a small molecule inhibitor targeting the HIV-1 protease enzyme. It is utilized in biochemical and antiviral research to study protease function and inhibition, supporting both in vitro enzymatic assays and cell-based antiviral activity studies.
CAS Number
132748-20-0
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C (C (C (CC1=CC=CC=C1) NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC (C) =O) CO) =O) CC (C) C) =O) CC (N) =O) =O) O) N2[C@H] (C (N[C@H] (C (N[C@H] (C (OC) =O) C (C) C) =O) [C@H] (CC) C) =O) CCC2
Molecular Formula
C42H68N8O11
Molecular Weight
861.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

JG 365
CAS Number132748-20-0
PubChem CID131549
IUPAC Namemethyl (2S)-2-[[(2S,3S)-2-[[(2S)-1-[3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate
Molecular FormulaC42H68N8O11
Molecular Weight861.0
XLogP1.2
Topological Polar Surface Area288
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count61
Formal Charge0
Complexity1490
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)C)O
InChI
InChI=1S/C42H68N8O11/c1-9-25(6)36(41(59)48-35(24(4)5)42(60)61-8)49-40(58)32-16-13-17-50(32)21-33(53)28(19-27-14-11-10-12-15-27)45-38(56)30(20-34(43)54)47-37(55)29(18-23(2)3)46-39(57)31(22-51)44-26(7)52/h10-12,14-15,23-25,28-33,35-36,51,53H,9,13,16-22H2,1-8H3,(H2,43,54)(H,44,52)(H,45,56)(H,46,57)(H,47,55)(H,48,59)(H,49,58)/t25-,28?,29-,30-,31-,32-,33?,35-,36-/m0/s1
InChIKey
MJOXWVYKMFPFPL-AIVXTZMUSA-N
Chemical Structure
2D Structure
2D structure of JG 365
CAS: 132748-20-0
CID: 131549
Formula: C42H68N8O11
MW: 861.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight861.0
XLogP31.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass860.50075501
Monoisotopic Mass860.50075501
Topological Polar Surface Area288 Ų
Heavy Atom Count61
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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