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Kemptide

CAT: 0926-PK17023-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-PK17023-01Size:1 mg
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CAS Number
65189-71-1
Synonyms
H-LRRASLG-OH
Molecular Formula
C32H61N13O9
Molecular Weight
771.92 g/mol
Controlled
No

Chemical Information

Kemptide

heptapeptide used as substrate for cAMP dependent protein kinase

CAS Number65189-71-1
PubChem CID9962276
IUPAC Name2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
Molecular FormulaC32H61N13O9
Molecular Weight771.9
XLogP-5.7
Topological Polar Surface Area387
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count54
Formal Charge0
Complexity1320
SMILES
C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C32H61N13O9/c1-16(2)12-19(33)26(50)42-21(9-7-11-39-32(36)37)29(53)43-20(8-6-10-38-31(34)35)28(52)41-18(5)25(49)45-23(15-46)30(54)44-22(13-17(3)4)27(51)40-14-24(47)48/h16-23,46H,6-15,33H2,1-5H3,(H,40,51)(H,41,52)(H,42,50)(H,43,53)(H,44,54)(H,45,49)(H,47,48)(H4,34,35,38)(H4,36,37,39)/t18-,19-,20-,21-,22-,23-/m0/s1
InChIKey
WIGDGIGALMYEBW-LLINQDLYSA-N
Chemical Structure
2D Structure
2D structure of Kemptide
CAS: 65189-71-1
CID: 9962276
Formula: C32H61N13O9
MW: 771.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.9
XLogP3-5.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass771.47152057
Monoisotopic Mass771.47152057
Topological Polar Surface Area387 Ų
Heavy Atom Count54
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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