Davunetide
(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 Identity
Davunetide
(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
PubChem CID: 9832404
Davunetide is an oligopeptide.
2D Structure
Properties
C36H60N10O12
Molecular Formula
824.90
Molecular Weight
g/mol
824.4392
Exact Mass
Da
-5.6
XLogP
Drug-like (Lipinski: < 5)
356
TPSA
May have limited oral absorption
10
H-Bond Donors
13
H-Bond Acceptors
1560
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CC(=O)N)NIsomeric SMILES
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)NSynonyms(20)
Davunetide211439-12-2NAP peptideNAPVSIPQ peptideDavunetidaAL108 cpdAL208 cpdAL-108AL-208GF00K3IIWEL-Glutamine, L-asparaginyl-L-alanyl-L-prolyl-L-valyl-L-seryl-L-isoleucyl-L-prolyl-(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 acidHuman activity-dependent neuroprotective protein (ADNP)-(354-361)-peptidedavunetidum(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
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Davunetide
Loading drug network...