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Pep2m, myristoylated

CAT: 0607-B5479-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-B5479-1Size:1 mg
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Description
inhibitor of the interaction between AMPA receptor and N-ethylmaleimide-sensitive fusion protein (NSF)
CAS Number
1423381-07-0
Product Name Alternative
(2S,3Z,5S,6Z,8S,9Z,11S,12Z,14S,15Z,17S,18Z,20S,21Z,23S,24Z,26S,27Z,29S,30Z)-11,20,29-tris(4-aminobutyl)-26-(3-guanidinopropyl)-4,7,10,13,16,19,22,25,28,31-decahydroxy-8-(2-hydroxy-2-iminoethyl)-2-(3-hydroxy-3-iminopropyl)-17-isopropyl-5,14-dimethyl-23-(2-
Field of Research
Membrane Transporter Ion Channel AMPAR
Form
White lyophilised solid
Solubility
Soluble to 1 mg/ml in sterile water
Smiles
CCCCCCCCCCCCC/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](/C(O)=N/[C@@](C(O)=O)([H])CCC(O)=N)([H])C)([H])CC(O)=N)([H])CCCCN)([H])C)([H])C(C)C)([H])CCCCN)([H])CCSC)([H])CCCNC(
Molecular Formula
C63H118N18O14S
Molecular Weight
1383.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Pep2m, myristoylated acetate
CAS Number1423381-07-0
PubChem CID90488880
IUPAC Name(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-(tetradecanoylamino)hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC63H118N18O14S
Molecular Weight1383.8
XLogP-1.8
Topological Polar Surface Area582
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count57
Heavy Atom Count96
Formal Charge0
Complexity2440
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C63H118N18O14S/c1-7-8-9-10-11-12-13-14-15-16-17-29-51(84)74-42(25-18-21-33-64)55(87)77-45(28-24-36-71-63(69)70)56(88)78-46(32-37-96-6)58(90)76-44(27-20-23-35-66)59(91)81-52(39(2)3)61(93)73-41(5)53(85)75-43(26-19-22-34-65)57(89)80-48(38-50(68)83)60(92)72-40(4)54(86)79-47(62(94)95)30-31-49(67)82/h39-48,52H,7-38,64-66H2,1-6H3,(H2,67,82)(H2,68,83)(H,72,92)(H,73,93)(H,74,84)(H,75,85)(H,76,90)(H,77,87)(H,78,88)(H,79,86)(H,80,89)(H,81,91)(H,94,95)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1
InChIKey
WOHZPGNQJGMOFO-KJNWLHRWSA-N
Chemical Structure
2D Structure
2D structure of Pep2m, myristoylated acetate
CAS: 1423381-07-0
CID: 90488880
Formula: C63H118N18O14S
MW: 1383.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1383.8
XLogP3-1.8
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count57
Exact Mass1382.87956168
Monoisotopic Mass1382.87956168
Topological Polar Surface Area582 Ų
Heavy Atom Count96
Formal Charge0
Complexity2440
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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