Sincalide

Sincalide An octapeptide hormone present in the intestine and brain. When secreted from the gastric mucosa, it stimulates the release of bile from the gallbladder and digestive enzymes from the pancreas.

Molecular Formula: C₄₉H₆₂N₁₀O₁₆S₃

InChI: InChI=1/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/f/h53-59,61,63,72H,51H2

InChIKey: InChIKey=IZTQOLKUZKXIRV-DJVHOLRHCV
SMILES: CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N

Names:
    Caerulein, 1-de(5-oxo-L-proline)-2-de-L-glutamine-5-L-methionine-
    EINECS 246-639-0
    Kinevac
    Sincalida [INN-Spanish]
    Sincalide [USAN:BAN:INN]
    Sincalide
    Sincalidum [INN-Latin]
    SQ 19844
    1-De(5-oxo-L-proline)-2-de-L-glutamine-5-L-methioninecaerulein
    25126-32-3
    3-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-carboxy-propanoyl)amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-[(1-carbamoyl-2-phenyl-ethyl)carbamoyl]propanoic acid

Registries:
    PubChem CID 32800
    PubChem ID 174725