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Chemical structure of Orcokinin

GA23322

Orcokinin

Also known as (4S)-5-[[(2S,3S)-1-[[(2S)-1-[[1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

The myotropic peptide orcokinin was isolated from abdominal nerve cords of the crayfish, Orconectes limosus· Its structure has no relationship to any known peptide family· Orcokinin proved to be a highly potent stimulator of hindgut contractions

ChemicalCAS145344-97-4MW1517.58FormulaC67H92N18O23
CAS number
145344-97-4
Molecular weight
1517.58
Formula
C67H92N18O23
Solubility
Soluble in DMSO
InChIKey
WJRVDOCLWHOQOK-PMVLMXRWSA-N
Catalogue number
GA23322
Brand
GLPBIO
Computed properties PubChem CID 16132196 · XLogP -7.9 · TPSA 693 Ų · H-bond donors 23
XLogP
-7.9
TPSA
693 Ų
H-bond donors
23
H-bond acceptors
25
Rotatable bonds
50
Heavy atoms
108

SMILES CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)N

Computed descriptors from PubChem (CID 16132196), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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