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HBV Seq2 aa:208-216

CAT: 0804-HY-P4045Size: 1 EachDry Ice: NoHazardous: No
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Description
HBV Seq2 aa:208-216, a HBsAg derived CD8 epitope peptide, is studied as part of Large envelope protein from Hepatitis B virus[1].
CAS Number
160214-63-1
UNSPSC
12352209
Target
HBV
Type
Peptides
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/hbv-seq2-aa-208-216.html
Solubility
10 mM in DMSO
Smiles
CC(C)C[C@@H](C(O)=O)NC([C@H](CC(C)C)NC([C@H]1N(CCC1)C([C@H](CC(C)C)NC([C@H](CC2=CC=CC=C2)NC([C@H]3N(CCC3)C([C@H](CO)NC([C@H](CC(C)C)NC([C@@H](N)[C@@H](C)CC)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C52H85N9O11
Molecular Weight
1012.29
References & Citations
[1]Xie X, et, al. HBeAg Is Indispensable for Inducing Liver Sinusoidal Endothelial Cell Activation by Hepatitis B Virus. Front Cell Infect Microbiol. 2022 Jan 31;12:797915.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

HBV Seq2 aa:208-216
CAS Number160214-63-1
PubChem CID166642531
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC52H85N9O11
Molecular Weight1012.3
XLogP2.7
Topological Polar Surface Area299
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Heavy Atom Count72
Formal Charge0
Complexity1840
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)N
InChI
InChI=1S/C52H85N9O11/c1-11-33(10)43(53)49(68)56-36(24-30(4)5)45(64)59-40(28-62)51(70)61-22-16-20-42(61)48(67)55-37(27-34-17-13-12-14-18-34)46(65)57-38(25-31(6)7)50(69)60-21-15-19-41(60)47(66)54-35(23-29(2)3)44(63)58-39(52(71)72)26-32(8)9/h12-14,17-18,29-33,35-43,62H,11,15-16,19-28,53H2,1-10H3,(H,54,66)(H,55,67)(H,56,68)(H,57,65)(H,58,63)(H,59,64)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
InChIKey
WEHXZULNFUKNDJ-MJNVZNKNSA-N
Chemical Structure
2D Structure
2D structure of HBV Seq2 aa:208-216
CAS: 160214-63-1
CID: 166642531
Formula: C52H85N9O11
MW: 1012.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1012.3
XLogP32.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Exact Mass1011.63685456
Monoisotopic Mass1011.63685456
Topological Polar Surface Area299 Ų
Heavy Atom Count72
Formal Charge0
Complexity1840
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes