Kolecystokinin

Chemical data

Formula

C166H261N51O52S4

Molecular weight

3931 g/mol

IUPAC name

3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[4-amino-2-[[5-amino-2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[5-carbamimidamido-2-[[2-[[2-[[1-[2-(2,6-diaminohexanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-2-(4-sulfooxyphenyl)acetyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid

SMILES

CCC(C)C(C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(C1=CC=C(C=C1)OS(=O)(=O)O)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=CC=C4)C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC5=CNC=N5)NC(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(=O)C7CCCN7C(=O)C(C)NC(=O)C(CCCCN)N

InChIKey

QFLBZJPOIZFFJQ-UHFFFAOYSA-N

XLogP

-19.7