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DMP 323

CAT: 0013-GTR19200350-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200350-01Size:25 mg
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Description
DMP 323 is a small molecule research compound that acts as a potent and selective inhibitor of the HIV-1 protease enzyme. It serves as a valuable tool for in vitro mechanistic studies of viral replication and for probing protease function in biochemical assays.
CAS Number
151867-81-1
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C (N1[C@H] (CC2=CC=CC=C2) [C@H] (O) [C@@H] (O) [C@@H] (CC3=CC=CC=C3) N (CC4=CC=C (CO) C=C4) C1=O) C5=CC=C (CO) C=C5
Molecular Formula
C35H38N2O5
Molecular Weight
566.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis((4-(hydroxymethyl)phenyl)methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one

(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one is a 1,3-diazepanone ring with two 4-(hydroxymethyl)benzyl groups as substituents at positions N-1 and N-4, two benzyl groups at C-4 and C-7, and two hydroxy groups at C-5 and C-6 respectively. It has a role as a metabolite and an anti-HIV agent. It is a diazepanone and a member of ureas.

CAS Number151867-81-1
PubChem CID72404
IUPAC Name(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-one
Molecular FormulaC35H38N2O5
Molecular Weight566.7
XLogP3.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity735
SMILES
C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=C(C=C3)CO)CC4=CC=C(C=C4)CO)CC5=CC=CC=C5)O)O
InChI
InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2/t31-,32-,33+,34+/m1/s1
InChIKey
XCVGQMUMMDXKCY-WZJLIZBTSA-N
Chemical Structure
2D Structure
2D structure of (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis((4-(hydroxymethyl)phenyl)methyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one
CAS: 151867-81-1
CID: 72404
Formula: C35H38N2O5
MW: 566.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.7
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass566.27807232
Monoisotopic Mass566.27807232
Topological Polar Surface Area104 Ų
Heavy Atom Count42
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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