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Chemical structure of Crustacean Cardioactive Peptide CCAP

GC33690

Crustacean Cardioactive Peptide CCAP

Also known as (2R)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-[[(2R)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-sulfanylpropanoic acid

Crustacean Cardioactive Peptide CCAP is a highly conserved, amidated cyclic nonapeptide, first isolated from the pericardial organs of the shore crab Carcinus maenas, where it has a role in regulating heartbeat; Crustacean Cardioactive Peptide CCAP also modulates the neuronal activity in other arthropods

ChemicalCAS309247-84-5MW959.1FormulaC42H58N10O12S2
CAS number
309247-84-5
Molecular weight
959.1
Formula
C42H58N10O12S2
Solubility
DMSO ： 50 mg/mL (52·13 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
ONSAAPXCOZQERN-HNGYRCOKSA-N
Catalogue number
GC33690
Brand
GLPBIO
Computed properties PubChem CID 166638345 · XLogP -3.9 · TPSA 347 Ų · H-bond donors 14
XLogP
-3.9
TPSA
347 Ų
H-bond donors
14
H-bond acceptors
15
Rotatable bonds
26
Heavy atoms
66

SMILES C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3)O

Computed descriptors from PubChem (CID 166638345), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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