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XM 412

CAT: 0013-GTR19209785-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209785-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XM 412 (DMP 450) is a small molecule inhibitor targeting the HIV-1 protease enzyme. It is utilized in biochemical and antiviral research to study viral replication mechanisms, with applications in both in vitro enzyme assays and cell-based antiviral activity studies.
CAS Number
177932-89-7
Smiles
CS (O) (=O) =O.CS (O) (=O) =O.Nc1cccc (CN2[C@H] (Cc3ccccc3) [C@H] (O) [C@@H] (O) [C@@H] (Cc3ccccc3) N (Cc3cccc (N) c3) C2=O) c1
Molecular Formula
C35H44N4O9S2
Molecular Weight
728.876
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mozenavir dimesylate
CAS Number177932-89-7
PubChem CID9853375
IUPAC Name(4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one;methanesulfonic acid
Molecular FormulaC35H44N4O9S2
Molecular Weight728.9
Topological Polar Surface Area242
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count50
Formal Charge0
Complexity816
SMILES
CS(=O)(=O)O.CS(=O)(=O)O.C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)N)CC4=CC(=CC=C4)N)CC5=CC=CC=C5)O)O
InChI
InChI=1S/C33H36N4O3.2CH4O3S/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26;2*1-5(2,3)4/h1-18,29-32,38-39H,19-22,34-35H2;2*1H3,(H,2,3,4)/t29-,30-,31+,32+;;/m1../s1
InChIKey
HINZVVDZPLARRP-YSVIXOAZSA-N
Chemical Structure
2D Structure
2D structure of Mozenavir dimesylate
CAS: 177932-89-7
CID: 9853375
Formula: C35H44N4O9S2
MW: 728.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight728.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass728.25497134
Monoisotopic Mass728.25497134
Topological Polar Surface Area242 Ų
Heavy Atom Count50
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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