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β Amyloid (28-35) human

CAT: 0931-T80699-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T80699-01Size:5 mg
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CAS Number
182945-56-8
Target
Beta Amyloid
Related Pathways
Neuroscience
Bioactivity
β-Amyloid (28-35) human is a neurotoxic β-amyloid peptide fragment that contributes to Alzheimer's disease pathogenesis by interacting with neuronal membranes, modulating its secondary structure and toxicity. It also exhibits anisotropic effects on the acidic phospholipid DPH, thereby increasing the internal fluidity within lipid membrane bilayers [1].
Smiles
[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@@H](CCSC)C(O)=O)=O)CC(C)C)=O)=O)[C@H](CC)C)=O)(NC([C@@H](NC(CNC([C@H](CCCCN)N)=O)=O)C)=O)[C@H](CC)C
Molecular Formula
C36H67N9O9S
Molecular Weight
802.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met-OH
CAS Number182945-56-8
PubChem CID169450767
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular FormulaC36H67N9O9S
Molecular Weight802.0
XLogP-2.5
Topological Polar Surface Area318
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Heavy Atom Count55
Formal Charge0
Complexity1270
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C36H67N9O9S/c1-9-21(5)29(34(51)40-19-28(47)42-26(17-20(3)4)33(50)43-25(36(53)54)14-16-55-8)45-35(52)30(22(6)10-2)44-31(48)23(7)41-27(46)18-39-32(49)24(38)13-11-12-15-37/h20-26,29-30H,9-19,37-38H2,1-8H3,(H,39,49)(H,40,51)(H,41,46)(H,42,47)(H,43,50)(H,44,48)(H,45,52)(H,53,54)/t21-,22-,23-,24-,25-,26-,29-,30-/m0/s1
InChIKey
KEPJUDFQCRIQEJ-QBUMULATSA-N
Chemical Structure
2D Structure
2D structure of H-Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met-OH
CAS: 182945-56-8
CID: 169450767
Formula: C36H67N9O9S
MW: 802.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight802.0
XLogP3-2.5
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Exact Mass801.47824592
Monoisotopic Mass801.47824592
Topological Polar Surface Area318 Ų
Heavy Atom Count55
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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