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β -Amyloid (35-42) 5mg

CAT: 0628-A22976-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A22976-5Size:5 mg
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CAS Number
183292-41-3

Chemical Information

beta-Amyloid (35-42)
CAS Number183292-41-3
PubChem CID25184743
IUPAC Name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]propanoic acid
Molecular FormulaC33H60N8O9S
Molecular Weight744.9
XLogP-0.7
Topological Polar Surface Area292
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Heavy Atom Count51
Formal Charge0
Complexity1220
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)N
InChI
InChI=1S/C33H60N8O9S/c1-11-19(8)27(32(48)37-20(9)33(49)50)41-31(47)26(18(6)7)40-30(46)25(17(4)5)38-23(43)15-35-22(42)14-36-29(45)24(16(2)3)39-28(44)21(34)12-13-51-10/h16-21,24-27H,11-15,34H2,1-10H3,(H,35,42)(H,36,45)(H,37,48)(H,38,43)(H,39,44)(H,40,46)(H,41,47)(H,49,50)/t19-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey
WMASSBNUXWFHBX-CMCOHCKLSA-N
Chemical Structure
2D Structure
2D structure of beta-Amyloid (35-42)
CAS: 183292-41-3
CID: 25184743
Formula: C33H60N8O9S
MW: 744.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight744.9
XLogP3-0.7
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count23
Exact Mass744.42039669
Monoisotopic Mass744.42039669
Topological Polar Surface Area292 Ų
Heavy Atom Count51
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes