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Chemical structure of Davunetide

GC50733

Davunetide

Also known as (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

Davunetide is an eight amino acid snippet derived from activity-dependent neuroprotective protein (ADNP), a neurotrophic factor that exists in the mammalian CNS

ChemicalCAS211439-12-2MW824.93FormulaC36H60N10O12
CAS number
211439-12-2
Molecular weight
824.93
Formula
C36H60N10O12
Solubility
DMSO ： 125 mg/mL (151·53 mM; Need ultrasonic); H2O ： 100 mg/mL (121·22 mM; Need ultrasonic)
InChIKey
DWLTUUXCVGVRAV-XWRHUKJGSA-N
Catalogue number
GC50733
Brand
GLPBIO
Computed properties PubChem CID 9832404 · XLogP -5.6 · TPSA 356 Ų · H-bond donors 10
XLogP
-5.6
TPSA
356 Ų
H-bond donors
10
H-bond acceptors
13
Rotatable bonds
22
Heavy atoms
58

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

Computed descriptors from PubChem (CID 9832404), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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