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HBV Seq1 aa:141-151

CAT: 0804-HY-P4051Size: 1 EachDry Ice: NoHazardous: No
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Description
HBV Seq1 aa:141-151 is a peptide. HBV Seq1 aa:141-151 can be used for the research of chronic hepatitis B virus (HBV) [1].
CAS Number
147318-53-4
UNSPSC
12352209
Target
HBV
Type
Peptides
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/hbv-seq1-aa-141-151.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(C)C)C(N1[C@@H](CCC1)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Molecular Formula
C53H95N17O18
Molecular Weight
1258.42
References & Citations
[1]A J Sijts, et al. Efficient generation of a hepatitis B virus cytotoxic T lymphocyte epitope requires the structural features of immunoproteasomes. J Exp Med. 2000 Feb 7;191 (3) :503-14.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

HBV Seq1 aa:141-151
CAS Number147318-53-4
PubChem CID166642535
IUPAC Name(4S)-4-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC53H95N17O18
Molecular Weight1258.4
XLogP-7.8
Topological Polar Surface Area593
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count39
Heavy Atom Count88
Formal Charge0
Complexity2460
SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)N)O
InChI
InChI=1S/C53H95N17O18/c1-23(2)21-33(64-47(83)38(26(7)72)67-41(77)29(54)22-71)50(86)70-20-12-15-34(70)44(80)61-31(16-17-35(75)76)43(79)68-39(27(8)73)49(85)69-40(28(9)74)48(84)66-37(25(5)6)46(82)65-36(24(3)4)45(81)62-30(13-10-18-59-52(55)56)42(78)63-32(51(87)88)14-11-19-60-53(57)58/h23-34,36-40,71-74H,10-22,54H2,1-9H3,(H,61,80)(H,62,81)(H,63,78)(H,64,83)(H,65,82)(H,66,84)(H,67,77)(H,68,79)(H,69,85)(H,75,76)(H,87,88)(H4,55,56,59)(H4,57,58,60)/t26-,27-,28-,29+,30+,31+,32+,33+,34+,36+,37+,38+,39+,40+/m1/s1
InChIKey
LSLQYXCVNVBNJL-DGBWKTDHSA-N
Chemical Structure
2D Structure
2D structure of HBV Seq1 aa:141-151
CAS: 147318-53-4
CID: 166642535
Formula: C53H95N17O18
MW: 1258.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1258.4
XLogP3-7.8
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count39
Exact Mass1257.70409925
Monoisotopic Mass1257.70409925
Topological Polar Surface Area593 Ų
Heavy Atom Count88
Formal Charge0
Complexity2460
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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