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Beta-Amyloid (1-40), Human

CAT: 1601-CCP1098-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1098-01Size:1 mg
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Description
Peptide to Beta-Amyloid (1-40), Human
CAS Number
144409-99-4
Structure Composition
H-Asp-Ala-Glu-Phe-Arg-His-Asp-Ser-Gly-Tyr-Glu-Val-His-His-Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Val-Gly-Ser-Asn-Lys-Gly-Ala-Ile-Ile-Gly-Leu-Met-Val-Gly-Gly-Val-Val-OH
Applications
Reverse sequence of Aβ 1-40.
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C194H295N53O58S
Molecular Weight
4329.9
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Amyloid beta-protein (40-1)
CAS Number144409-99-4
PubChem CID131636534
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]butanedioic acid
Molecular FormulaC194H295N53O58S
Molecular Weight4330
XLogP-13.1
Topological Polar Surface Area1790
Hydrogen Bond Donor Count60
Hydrogen Bond Acceptor Count66
Rotatable Bond Count145
Heavy Atom Count306
Formal Charge0
Complexity10500
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C194H295N53O58S/c1-25-102(19)158(243-145(258)88-209-163(274)123(67-94(3)4)228-173(284)122(62-66-306-24)226-187(298)154(98(11)12)241-143(256)84-206-140(253)83-211-186(297)153(97(9)10)246-185(296)152(199)96(7)8)192(303)247-159(103(20)26-2)191(302)217-104(21)160(271)207-85-141(254)218-115(47-36-38-63-195)168(279)235-132(76-139(198)252)179(290)240-136(89-248)165(276)210-87-144(257)242-155(99(13)14)188(299)238-134(78-150(267)268)180(291)224-120(56-60-147(261)262)167(278)215-105(22)161(272)227-126(69-107-41-30-27-31-42-107)176(287)231-128(71-109-45-34-29-35-46-109)182(293)244-157(101(17)18)190(301)237-124(68-95(5)6)174(285)220-116(48-37-39-64-196)169(280)222-118(54-58-138(197)251)171(282)232-130(74-112-81-203-92-213-112)178(289)234-131(75-113-82-204-93-214-113)183(294)245-156(100(15)16)189(300)225-121(57-61-148(263)264)172(283)229-125(72-110-50-52-114(250)53-51-110)164(275)208-86-142(255)219-137(90-249)184(295)236-133(77-149(265)266)181(292)233-129(73-111-80-202-91-212-111)177(288)221-117(49-40-65-205-194(200)201)170(281)230-127(70-108-43-32-28-33-44-108)175(286)223-119(55-59-146(259)260)166(277)216-106(23)162(273)239-135(193(304)305)79-151(269)270/h27-35,41-46,50-53,80-82,91-106,115-137,152-159,248-250H,25-26,36-40,47-49,54-79,83-90,195-196,199H2,1-24H3,(H2,197,251)(H2,198,252)(H,202,212)(H,203,213)(H,204,214)(H,206,253)(H,207,271)(H,208,275)(H,209,274)(H,210,276)(H,211,297)(H,215,278)(H,216,277)(H,217,302)(H,218,254)(H,219,255)(H,220,285)(H,221,288)(H,222,280)(H,223,286)(H,224,291)(H,225,300)(H,226,298)(H,227,272)(H,228,284)(H,229,283)(H,230,281)(H,231,287)(H,232,282)(H,233,292)(H,234,289)(H,235,279)(H,236,295)(H,237,301)(H,238,299)(H,239,273)(H,240,290)(H,241,256)(H,242,257)(H,243,258)(H,244,293)(H,245,294)(H,246,296)(H,247,303)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,304,305)(H4,200,201,205)/t102-,103-,104-,105-,106-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,152-,153-,154-,155-,156-,157-,158-,159-/m0/s1
InChIKey
UHQFRXUCGJGTJV-ILZZQXMPSA-N
Chemical Structure
2D Structure
2D structure of Amyloid beta-protein (40-1)
CAS: 144409-99-4
CID: 131636534
Formula: C194H295N53O58S
MW: 4330
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight4330
XLogP3-13.1
Hydrogen Bond Donor Count60
Hydrogen Bond Acceptor Count66
Rotatable Bond Count145
Exact Mass4329.1551354
Monoisotopic Mass4327.1484257
Topological Polar Surface Area1790 Ų
Heavy Atom Count306
Formal Charge0
Complexity10500
Isotope Atom Count0
Defined Atom Stereocenter Count36
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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