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Amyloid β-Protein (1-15)

CAT: 0607-A1003-10Size: 10 mgDry Ice: NoHazardous: No
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Description
Principal component of amyloid
CAS Number
183745-81-5
Sequence
H2N-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-OH
Field of Research
Neuroscience Alzheimer Neuroscience Amyloid β Neuroscience Neuroscience Peptides
Purity
0.9858
Form
A solid
Solubility
insoluble in EtOH; ≥182.6 mg/mL in DMSO; ≥50.7 mg/mL in H2O
Smiles
CC(C)C(C(=O)NC(CC1=CNC=N1)C(=O)NC(CC2=CNC=N2)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC4=CNC=N4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)N
Molecular Formula
C78H107N25O27
Molecular Weight
1826.86
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

L-alpha-Aspartyl-L-alanyl-L-alpha-glutamyl-L-phenylalanyl-L-arginyl-L-histidyl-L-alpha-aspartyl-L-serylglycyl-L-tyrosyl-L-alpha-glutamyl-L-valyl-L-histidyl-L-histidyl-L-glutamine
CAS Number183745-81-5
PubChem CID71464361
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC78H107N25O27
Molecular Weight1826.8
XLogP-9.7
Topological Polar Surface Area851
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count32
Rotatable Bond Count59
Heavy Atom Count130
Formal Charge0
Complexity3930
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CC5=CNC=N5)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C78H107N25O27/c1-37(2)63(76(128)101-54(26-43-31-85-36-90-43)74(126)99-52(24-41-29-83-34-88-41)72(124)96-49(77(129)130)15-18-57(80)106)103-69(121)48(17-20-60(110)111)95-70(122)50(23-40-11-13-44(105)14-12-40)92-58(107)32-87-66(118)56(33-104)102-75(127)55(28-62(114)115)100-73(125)53(25-42-30-84-35-89-42)98-67(119)46(10-7-21-86-78(81)82)94-71(123)51(22-39-8-5-4-6-9-39)97-68(120)47(16-19-59(108)109)93-64(116)38(3)91-65(117)45(79)27-61(112)113/h4-6,8-9,11-14,29-31,34-38,45-56,63,104-105H,7,10,15-28,32-33,79H2,1-3H3,(H2,80,106)(H,83,88)(H,84,89)(H,85,90)(H,87,118)(H,91,117)(H,92,107)(H,93,116)(H,94,123)(H,95,122)(H,96,124)(H,97,120)(H,98,119)(H,99,126)(H,100,125)(H,101,128)(H,102,127)(H,103,121)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)(H4,81,82,86)/t38-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,63-/m0/s1
InChIKey
CSCAPVBQOYQJJF-NOZGEEMHSA-N
Chemical Structure
2D Structure
2D structure of L-alpha-Aspartyl-L-alanyl-L-alpha-glutamyl-L-phenylalanyl-L-arginyl-L-histidyl-L-alpha-aspartyl-L-serylglycyl-L-tyrosyl-L-alpha-glutamyl-L-valyl-L-histidyl-L-histidyl-L-glutamine
CAS: 183745-81-5
CID: 71464361
Formula: C78H107N25O27
MW: 1826.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1826.8
XLogP3-9.7
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count32
Rotatable Bond Count59
Exact Mass1825.7768232
Monoisotopic Mass1825.7768232
Topological Polar Surface Area851 Ų
Heavy Atom Count130
Formal Charge0
Complexity3930
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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