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AAV-8 NSL epitope

CAT: 0931-TP2752-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2752-01Size:10 mg
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CAS Number
872141-81-6
Bioactivity
The AAV-8 NSL epitope, isolated from the capsid of serotype 8 of an adeno-associated virus (AAV), exhibits high affinity for MHC I molecules, enabling it to bind with MHC I and subsequently activate CD8+ T cells. This epitope is instrumental in researching the impact of T cell-mediated immune responses on AAV-mediated gene transfer.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(N)=O)N)=O)CO)=O)CC(C)C)=O)C)=O)CC(N)=O)(=O)N1[C@H](C(NCC(N[C@H](C(N[C@H](C(O)=O)C)=O)[C@H](CC)C)=O)=O)CCC1
Molecular Formula
C36H61N11O13
Molecular Weight
855.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AAV-8 NSL epitope
CAS Number872141-81-6
PubChem CID171904673
IUPAC Name(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylpentanoyl]amino]propanoic acid
Molecular FormulaC36H61N11O13
Molecular Weight855.9
XLogP-6.6
Topological Polar Surface Area394
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Heavy Atom Count60
Formal Charge0
Complexity1610
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C36H61N11O13/c1-7-17(4)28(34(57)42-19(6)36(59)60)46-27(51)14-40-33(56)24-9-8-10-47(24)35(58)22(13-26(39)50)44-29(52)18(5)41-31(54)21(11-16(2)3)43-32(55)23(15-48)45-30(53)20(37)12-25(38)49/h16-24,28,48H,7-15,37H2,1-6H3,(H2,38,49)(H2,39,50)(H,40,56)(H,41,54)(H,42,57)(H,43,55)(H,44,52)(H,45,53)(H,46,51)(H,59,60)/t17-,18-,19-,20-,21-,22-,23-,24-,28-/m0/s1
InChIKey
PZLUYMVNFVIMFC-ORAITHBRSA-N
Chemical Structure
2D Structure
2D structure of AAV-8 NSL epitope
CAS: 872141-81-6
CID: 171904673
Formula: C36H61N11O13
MW: 855.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight855.9
XLogP3-6.6
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Exact Mass855.44503104
Monoisotopic Mass855.44503104
Topological Polar Surface Area394 Ų
Heavy Atom Count60
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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