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β-Amyloid (25-35)

CAT: 0024-sc-500842ASize: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-500842ASize:1 mg
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CAS Number
131602-53-4

Chemical Information

Glycylserylasparaginyllysylglycylalanylisoleucylisoleucylglycylleucylmethionine
CAS Number131602-53-4
PubChem CID3407255
IUPAC Name2-[[2-[[2-[[2-[[2-[2-[[2-[[6-amino-2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoylamino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular FormulaC45H81N13O14S
Molecular Weight1060.3
XLogP-4.9
Topological Polar Surface Area469
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count37
Heavy Atom Count73
Formal Charge0
Complexity1880
SMILES
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)CN
InChI
InChI=1S/C45H81N13O14S/c1-9-24(5)36(43(69)50-21-35(63)52-29(17-23(3)4)40(66)55-28(45(71)72)14-16-73-8)58-44(70)37(25(6)10-2)57-38(64)26(7)51-34(62)20-49-39(65)27(13-11-12-15-46)54-41(67)30(18-32(48)60)56-42(68)31(22-59)53-33(61)19-47/h23-31,36-37,59H,9-22,46-47H2,1-8H3,(H2,48,60)(H,49,65)(H,50,69)(H,51,62)(H,52,63)(H,53,61)(H,54,67)(H,55,66)(H,56,68)(H,57,64)(H,58,70)(H,71,72)
InChIKey
WIHBNMPFWRHGDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycylserylasparaginyllysylglycylalanylisoleucylisoleucylglycylleucylmethionine
CAS: 131602-53-4
CID: 3407255
Formula: C45H81N13O14S
MW: 1060.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1060.3
XLogP3-4.9
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count37
Exact Mass1059.57466548
Monoisotopic Mass1059.57466548
Topological Polar Surface Area469 Ų
Heavy Atom Count73
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes