Specification
Synonyms
BOC-TYR(SO3H)-NLE-GLY-TRP-NLE-ASP-2-PHENYLETHYL ESTER NH₃;CHOLECYSTOKININ ''JMV180'';CCK ''JMV180'';Boc-O-(anmoniooxysulfonyl)-L-Tyr-L-Nle-Gly-L-Trp-L-Nle-3-(annmoniooxycarbonyl)-L-Ala-(2-phenylethyl)OH
IUPAC Name
[4-[(2S)-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-4-azaniumyloxy-1,4-dioxo-1-(2-phenylethoxy)butan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamin
Canonical SMILES
CCCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(CC(=O)O[NH₃+])C(=O)OCCC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O[NH₃+])NC(=O)OC(C)(C)C
InChI Key
JYBRNUFKIRTGSW-FDXDWZSASA-P