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Chemical structure of α-Casozepine

GC74347

α-Casozepine

Also known as (4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

α-Casozepine is a bioactive peptide derived from the α protein S1 casein in milk and has an affinity for γ-aminobutyric acid (GABA) receptors in the brain

ChemicalCAS117592-45-7MW1267.47FormulaC60H94N14O16
CAS number
117592-45-7
Molecular weight
1267.47
Formula
C60H94N14O16
Solubility
DMSO ： 20 mg/mL (15·78 mM; Need ultrasonic and warming)
InChIKey
SKGURMFKEAFAGD-CSYZDTNESA-N
Catalogue number
GC74347
Brand
GLPBIO
Computed properties PubChem CID 10351433 · XLogP -0.8 · TPSA 510 Ų · H-bond donors 17
XLogP
-0.8
TPSA
510 Ų
H-bond donors
17
H-bond acceptors
18
Rotatable bonds
41
Heavy atoms
90

SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

Computed descriptors from PubChem (CID 10351433), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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