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Netanasvir

CAT: 0013-GTR19258739-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258739-02Size:10 mg
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Description
Netanasvir is an inhibitor of NS5A with antiviral properties. It is applicable for research on HCV (hepatitis C virus) .
CAS Number
2007900-70-9
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C ([C@@H] (NC (OC) =O) C (C) C) (=O) N1[C@H] (C=2NC=3C=4C (=CC (=CC4) C5=C6C (=C (C=C5) C=7NC (=NC7) [C@H]8N (C ([C@H] (NC (OC) =O) C9=CC=CC=C9) =O) C[C@@H] (COC) C8) CCC6) C=CC3N2) CC[C@@H]1C
Molecular Formula
C51H58N8O7
Molecular Weight
895.056
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Netanasvir
CAS Number2007900-70-9
PubChem CID122535557
IUPAC Namemethyl N-[(1R)-2-[(2S,4S)-2-[5-[7-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-3H-benzo[e]benzimidazol-7-yl]-2,3-dihydro-1H-inden-4-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
Molecular FormulaC51H58N8O7
Molecular Weight895.1
XLogP7.5
Topological Polar Surface Area184
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count66
Formal Charge0
Complexity1700
SMILES
C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=C3C=CC(=C4)C5=C6CCCC6=C(C=C5)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC
InChI
InChI=1S/C51H58N8O7/c1-28(2)43(56-50(62)65-5)49(61)59-29(3)15-22-41(59)47-53-39-21-17-33-24-32(16-18-35(33)45(39)55-47)34-19-20-38(37-14-10-13-36(34)37)40-25-52-46(54-40)42-23-30(27-64-4)26-58(42)48(60)44(57-51(63)66-6)31-11-8-7-9-12-31/h7-9,11-12,16-21,24-25,28-30,41-44H,10,13-15,22-23,26-27H2,1-6H3,(H,52,54)(H,53,55)(H,56,62)(H,57,63)/t29-,30-,41-,42-,43-,44+/m0/s1
InChIKey
SXUUQUIMLYPBSV-IVSYMLMBSA-N
Chemical Structure
2D Structure
2D structure of Netanasvir
CAS: 2007900-70-9
CID: 122535557
Formula: C51H58N8O7
MW: 895.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight895.1
XLogP37.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass894.44284622
Monoisotopic Mass894.44284622
Topological Polar Surface Area184 Ų
Heavy Atom Count66
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-168987Netanasvir

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