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HBV Seq1 aa:63-71

CAT: 0804-HY-P4049Size: 1 EachDry Ice: NoHazardous: No
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Description
HBV Seq1 aa:63-71 is the fragment of hepatitis B virus (HBV) [1].
CAS Number
189323-64-6
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-seq1-aa-63-71.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCSC)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)=O)=O)=O)=O)=O)=O)=O)CN
Molecular Formula
C46H72N10O14S
Molecular Weight
1021.19
References & Citations
[1]Townsend K, et al. Characterization of CD8+ cytotoxic T-lymphocyte responses after genetic immunization with retrovirus vectors expressing different forms of the hepatitis B virus core and e antigens. J Virol. 1997 May;71 (5) :3365-74.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

HBV Seq1 aa:63-71
CAS Number189323-64-6
PubChem CID166642534
IUPAC Name(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC46H72N10O14S
Molecular Weight1021.2
XLogP-2.2
Topological Polar Surface Area415
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count31
Heavy Atom Count71
Formal Charge0
Complexity1840
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)O
InChI
InChI=1S/C46H72N10O14S/c1-22(2)17-32(42(65)49-24(5)39(62)55-37(25(6)57)45(68)54-34(46(69)70)19-27-21-48-29-12-10-9-11-28(27)29)53-44(67)38(26(7)58)56-41(64)31(15-16-71-8)51-43(66)33(18-23(3)4)52-40(63)30(13-14-36(60)61)50-35(59)20-47/h9-12,21-26,30-34,37-38,48,57-58H,13-20,47H2,1-8H3,(H,49,65)(H,50,59)(H,51,66)(H,52,63)(H,53,67)(H,54,68)(H,55,62)(H,56,64)(H,60,61)(H,69,70)/t24-,25+,26+,30-,31-,32-,33-,34-,37-,38-/m0/s1
InChIKey
MUEOOYZYKIELGI-DRVCPKJRSA-N
Chemical Structure
2D Structure
2D structure of HBV Seq1 aa:63-71
CAS: 189323-64-6
CID: 166642534
Formula: C46H72N10O14S
MW: 1021.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1021.2
XLogP3-2.2
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count16
Rotatable Bond Count31
Exact Mass1020.49501818
Monoisotopic Mass1020.49501818
Topological Polar Surface Area415 Ų
Heavy Atom Count71
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

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