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Description
Davunetide is an eight amino acid peptide (NAPVSIPQ) with potent neuroprotection in vitro and in vivo. Davunetide has been shown to enhance functional daily behaviors in schizophrenia patients and to increase memory scores in patients suffering from amnestic mild cognitive impairment.
CAS Number
211439-12-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
824.94
Molecular Formula
C36H60N10O12
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Davunetide

Davunetide is an oligopeptide.

CAS Number211439-12-2
PubChem CID9832404
IUPAC Name(2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
Molecular FormulaC36H60N10O12
Molecular Weight824.9
XLogP-5.6
Topological Polar Surface Area356
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Heavy Atom Count58
Formal Charge0
Complexity1560
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1
InChIKey
DWLTUUXCVGVRAV-XWRHUKJGSA-N
Chemical Structure
2D Structure
2D structure of Davunetide
CAS: 211439-12-2
CID: 9832404
Formula: C36H60N10O12
MW: 824.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight824.9
XLogP3-5.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Exact Mass824.43921739
Monoisotopic Mass824.43921739
Topological Polar Surface Area356 Ų
Heavy Atom Count58
Formal Charge0
Complexity1560
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes