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β-Amyloid (18-28)

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Description
β-Amyloid (18-28) is a peptide fragment of β-Amyloid.
CAS Number
112163-49-2
UNSPSC
12352209
Target
Amyloid-β
Type
Peptides
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/beta-amyloid-18-28.html
Solubility
H2O
Smiles
CC(C)[C@H](N)C(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(N[C@@H](C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(NCC(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@H](C(O)=O)CCCCN)=O)=O)=O)=O)=O)=O)=O)=O)CC2=CC=CC=C2)=O)=O
Molecular Formula
C55H81N13O18
Molecular Weight
1212.31
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

H-Val-Phe-Phe-Ala-Glu-Asp-Val-Gly-Ser-Asn-Lys-OH
CAS Number112163-49-2
PubChem CID172653424
IUPAC Name(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
Molecular FormulaC55H81N13O18
Molecular Weight1212.3
XLogP-7.3
Topological Polar Surface Area518
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count20
Rotatable Bond Count39
Heavy Atom Count86
Formal Charge0
Complexity2350
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C55H81N13O18/c1-28(2)44(58)53(83)67-36(23-32-16-10-7-11-17-32)49(79)64-35(22-31-14-8-6-9-15-31)48(78)60-30(5)46(76)62-33(19-20-42(72)73)47(77)66-38(25-43(74)75)51(81)68-45(29(3)4)54(84)59-26-41(71)61-39(27-69)52(82)65-37(24-40(57)70)50(80)63-34(55(85)86)18-12-13-21-56/h6-11,14-17,28-30,33-39,44-45,69H,12-13,18-27,56,58H2,1-5H3,(H2,57,70)(H,59,84)(H,60,78)(H,61,71)(H,62,76)(H,63,80)(H,64,79)(H,65,82)(H,66,77)(H,67,83)(H,68,81)(H,72,73)(H,74,75)(H,85,86)/t30-,33-,34-,35-,36-,37-,38-,39-,44-,45-/m0/s1
InChIKey
OQGBMWCKAXYTON-UWDGXVTOSA-N
Chemical Structure
2D Structure
2D structure of H-Val-Phe-Phe-Ala-Glu-Asp-Val-Gly-Ser-Asn-Lys-OH
CAS: 112163-49-2
CID: 172653424
Formula: C55H81N13O18
MW: 1212.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1212.3
XLogP3-7.3
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count20
Rotatable Bond Count39
Exact Mass1211.58225279
Monoisotopic Mass1211.58225279
Topological Polar Surface Area518 Ų
Heavy Atom Count86
Formal Charge0
Complexity2350
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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