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Chemical structure of Perisulfakinin

GA23359

Perisulfakinin

Also known as (4S)-4-amino-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Perisulfakinin was originally isolated from the corpora cardiaca of the American cockroach, Periplaneta americana· The peptide, which shows sequence similarity to gastrin and cholecystokinin, stimulates hindgut contractions in the same species

ChemicalCAS125131-58-0MW1523.63FormulaC64H86N18O22S2
CAS number
125131-58-0
Molecular weight
1523.63
Formula
C64H86N18O22S2
Solubility
Soluble in DMSO
InChIKey
CEVHBPUISQUUSQ-BHEJXMHWSA-N
Catalogue number
GA23359
Brand
GLPBIO
Computed properties PubChem CID 16131376 · XLogP -6.6 · TPSA 703 Ų · H-bond donors 21
XLogP
-6.6
TPSA
703 Ų
H-bond donors
21
H-bond acceptors
26
Rotatable bonds
49
Heavy atoms
106

SMILES CSCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N

Computed descriptors from PubChem (CID 16131376), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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