Cholecystokinin (26-32), tyr-gly-nle(28,31) phenethyl ester-

Base Information

• Chemical Name: Cholecystokinin (26-32), tyr-gly-nle(28,31) phenethyl ester-
• CAS No.: 119400-92-9
• Molecular Formula: C61H76 N10 O19 S
• Molecular Weight: 1285.38
• DSSTox Substance ID: DTXSID40152451
• Wikidata: Q83019085
• Mol file: 119400-92-9.mol

Synonyms:CCK(26-32), Tyr-Gly-Nle(28,31) phenethyl ester-;CCK-OPE;cholecystokinin (26-32), Tyr-Gly-Nle(28,31) phenethyl ester-;cholecystokinin (26-32), tyrosyl-glycyl-norleucine(28,31) phenethyl ester-;D-Tyr-Gly-Asp-Tyr(SO3)-Nle-Gly-Trp-Nle-Asp-2-phenylethyl ester;TGN-CCK-PEE;Tyr-Gly-28,31-Nle-CCK(28-32) phenethyl ester;tyrosyl-glycyl-aspartyl-sulfotyrosyl-norleucyl-glycyl-tryptophyl-norleucyl-aspartic acid 2-phenylethyl ester

Chemical Property of Cholecystokinin (26-32), tyr-gly-nle(28,31) phenethyl ester-

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 39
• Exact Mass: 1284.50089141
• Heavy Atom Count: 91
• Complexity: 2540

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(CC(=O)O)C(=O)OCCC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC5=CC=C(C=C5)O)N
• Isomeric SMILES: CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)OCCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CC5=CC=C(C=C5)O)N

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