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Chemical structure of β-Casomorphin, human (Human β-casomorphin 7)

GC33784

β-Casomorphin, human (Human β-casomorphin 7)

Also known as 2-[[1-[2-[[2-[[2-[[1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

is an opioid peptide, acts as an agonist of opioid receptor

ChemicalCAS102029-74-3MW864FormulaC44H61N7O11
CAS number
102029-74-3
Molecular weight
864
Formula
C44H61N7O11
Solubility
Soluble in DMSO
InChIKey
ADBHAJDGVKLXHK-UHFFFAOYSA-N
Catalogue number
GC33784
Brand
GLPBIO
Computed properties PubChem CID 4424653 · XLogP 0.7 · TPSA 278 Ų · H-bond donors 8
XLogP
0.7
TPSA
278 Ų
H-bond donors
8
H-bond acceptors
12
Rotatable bonds
21
Heavy atoms
62

SMILES CCC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N

Computed descriptors from PubChem (CID 4424653), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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