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Chemical structure of Cholecystokinin Octapeptide, desulfated TFA

GC60703

Cholecystokinin Octapeptide, desulfated TFA

Also known as (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid

Cholecystokinin Octapeptide, desulfated TFA is a synthetic desulfated octapeptides of Cholecystokinin (CCK)

ChemicalCAS171486-94-5MW1177.23FormulaC51H63F3N10O15S2
CAS number
171486-94-5
Molecular weight
1177.23
Formula
C51H63F3N10O15S2
InChIKey
HTIRPVYNGDRDRP-ITZXPNBCSA-N
Catalogue number
GC60703
Brand
GLPBIO
Computed properties PubChem CID 137700158 · TPSA 471 Ų · H-bond donors 14 · H-bond acceptors 21
TPSA
471 Ų
H-bond donors
14
H-bond acceptors
21
Rotatable bonds
31
Heavy atoms
81

SMILES CSCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)O)N.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 137700158), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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