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Β-Amyloid P Component (27 - 38), amide

CAT: 1410-M40733Size: 1 EachDry Ice: NoHazardous: No
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Description
Β-Amyloid P Component (27 - 38), amide
CAS Number
180387-75-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1493.78
Molecular Formula
C68H106N19O17S
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

H-Glu-Lys-Pro-Leu-Gln-Asn-Phe-Thr-Leu-Cys-Phe-Arg-NH2
CAS Number180387-75-1
PubChem CID131850001
IUPAC Name(4S)-4-amino-5-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC68H107N19O17S
Molecular Weight1494.8
XLogP-5.6
Topological Polar Surface Area616
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count48
Heavy Atom Count105
Formal Charge0
Complexity2970
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)N)O
InChI
InChI=1S/C68H107N19O17S/c1-36(2)30-45(83-65(102)51-22-15-29-87(51)67(104)44(20-12-13-27-69)79-57(94)41(70)23-26-54(91)92)59(96)78-43(24-25-52(71)89)58(95)82-49(34-53(72)90)62(99)80-48(33-40-18-10-7-11-19-40)63(100)86-55(38(5)88)66(103)84-46(31-37(3)4)60(97)85-50(35-105)64(101)81-47(32-39-16-8-6-9-17-39)61(98)77-42(56(73)93)21-14-28-76-68(74)75/h6-11,16-19,36-38,41-51,55,88,105H,12-15,20-35,69-70H2,1-5H3,(H2,71,89)(H2,72,90)(H2,73,93)(H,77,98)(H,78,96)(H,79,94)(H,80,99)(H,81,101)(H,82,95)(H,83,102)(H,84,103)(H,85,97)(H,86,100)(H,91,92)(H4,74,75,76)/t38-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,55+/m1/s1
InChIKey
NYDMWGGYJMZGMM-CZUSOTPBSA-N
Chemical Structure
2D Structure
2D structure of H-Glu-Lys-Pro-Leu-Gln-Asn-Phe-Thr-Leu-Cys-Phe-Arg-NH2
CAS: 180387-75-1
CID: 131850001
Formula: C68H107N19O17S
MW: 1494.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1494.8
XLogP3-5.6
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count48
Exact Mass1493.78130419
Monoisotopic Mass1493.78130419
Topological Polar Surface Area616 Ų
Heavy Atom Count105
Formal Charge0
Complexity2970
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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