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SAMS

CAT: 1410-M30510-01Size: 1 EachDry Ice: NoHazardous: No
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Description
SAMS peptide is a specific substrate for the AMP-activated protein kinase (AMPK) .
CAS Number
125911-68-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1779.15
Molecular Formula
C74H131N29O18S2
Notes
Research use only, not for human use.
Receptor
AMPK

Chemical Information

SAMS Peptide
CAS Number125911-68-4
PubChem CID71773161
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular FormulaC74H131N29O18S2
Molecular Weight1779.2
XLogP-8.5
Topological Polar Surface Area838
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count27
Rotatable Bond Count62
Heavy Atom Count123
Formal Charge0
Complexity3490
SMILES
C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CN=CN2)N
InChI
InChI=1S/C74H131N29O18S2/c1-38(2)27-51(66(115)100-53(30-43-32-84-37-90-43)67(116)99-52(28-39(3)4)68(117)103-57(40(5)6)70(119)97-45(15-10-11-21-75)61(110)95-46(16-12-22-85-72(77)78)62(111)98-50(71(120)121)18-14-24-87-74(81)82)92-56(106)33-88-60(109)54(34-104)101-65(114)48(19-25-122-8)93-58(107)41(7)91-69(118)55(35-105)102-63(112)47(17-13-23-86-73(79)80)96-64(113)49(20-26-123-9)94-59(108)44(76)29-42-31-83-36-89-42/h31-32,36-41,44-55,57,104-105H,10-30,33-35,75-76H2,1-9H3,(H,83,89)(H,84,90)(H,88,109)(H,91,118)(H,92,106)(H,93,107)(H,94,108)(H,95,110)(H,96,113)(H,97,119)(H,98,111)(H,99,116)(H,100,115)(H,101,114)(H,102,112)(H,103,117)(H,120,121)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t41-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-/m0/s1
InChIKey
YJAHUEAICBOBTC-CSVPVIMBSA-N
Chemical Structure
2D Structure
2D structure of SAMS Peptide
CAS: 125911-68-4
CID: 71773161
Formula: C74H131N29O18S2
MW: 1779.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1779.2
XLogP3-8.5
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count27
Rotatable Bond Count62
Exact Mass1777.96683080
Monoisotopic Mass1777.96683080
Topological Polar Surface Area838 Ų
Heavy Atom Count123
Formal Charge0
Complexity3490
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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CatalogName
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