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Beta-Amyloid (1-11)

CAT: 1601-CCP1996-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1996-01Size:1 mg
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Description
Peptide to Beta-Amyloid (1-11)
CAS Number
190436-05-6
Structure Composition
Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C56H76N16O22
Molecular Weight
1325.32
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

beta-Amyloid (1-11)
CAS Number190436-05-6
PubChem CID71317263
IUPAC Name(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-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid
Molecular FormulaC56H76N16O22
Molecular Weight1325.3
XLogP-8.4
Topological Polar Surface Area637
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count25
Rotatable Bond Count42
Heavy Atom Count94
Formal Charge0
Complexity2690
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](CCCN=C(N)N)C(=O)N[C@@H](CC2=CN=CN2)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)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C56H76N16O22/c1-27(64-47(85)32(57)21-44(80)81)46(84)66-34(13-15-42(76)77)50(88)69-37(18-28-6-3-2-4-7-28)52(90)67-33(8-5-17-61-56(58)59)49(87)70-38(20-30-23-60-26-63-30)53(91)71-39(22-45(82)83)54(92)72-40(25-73)48(86)62-24-41(75)65-36(19-29-9-11-31(74)12-10-29)51(89)68-35(55(93)94)14-16-43(78)79/h2-4,6-7,9-12,23,26-27,32-40,73-74H,5,8,13-22,24-25,57H2,1H3,(H,60,63)(H,62,86)(H,64,85)(H,65,75)(H,66,84)(H,67,90)(H,68,89)(H,69,88)(H,70,87)(H,71,91)(H,72,92)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,93,94)(H4,58,59,61)/t27-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
InChIKey
AGNCCPVJIGFHDN-BVISTOLDSA-N
Chemical Structure
2D Structure
2D structure of beta-Amyloid (1-11)
CAS: 190436-05-6
CID: 71317263
Formula: C56H76N16O22
MW: 1325.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1325.3
XLogP3-8.4
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count25
Rotatable Bond Count42
Exact Mass1324.53200812
Monoisotopic Mass1324.53200812
Topological Polar Surface Area637 Ų
Heavy Atom Count94
Formal Charge0
Complexity2690
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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