A-71378   

GtoPdb Ligand ID: 894

Synonyms: A 71378 | A71378
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES CCCCC(C(=O)NC(=O)c1ccccc1CC(NC(=O)C(CC(=O)O)NC)C)NC(=O)N(C(=O)CNC(=O)C(NC(=O)CCc1ccc(cc1)OS(=O)(=O)O)CCCC)Cc1c[nH]c2c1cccc2
Isomeric SMILES CCCC[C@@H](C(=O)NC(=O)c1ccccc1C[C@H](NC(=O)[C@H](CC(=O)O)NC)C)NC(=O)N(C(=O)CNC(=O)[C@@H](NC(=O)CCc1ccc(cc1)OS(=O)(=O)O)CCCC)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C48H62N8O13S/c1-5-7-16-38(53-41(57)24-21-31-19-22-34(23-20-31)69-70(66,67)68)45(62)51-28-42(58)56(29-33-27-50-37-18-12-11-14-35(33)37)48(65)54-39(17-8-6-2)46(63)55-44(61)36-15-10-9-13-32(36)25-30(3)52-47(64)40(49-4)26-43(59)60/h9-15,18-20,22-23,27,30,38-40,49-50H,5-8,16-17,21,24-26,28-29H2,1-4H3,(H,51,62)(H,52,64)(H,53,57)(H,54,65)(H,59,60)(H,55,61,63)(H,66,67,68)/t30-,38+,39+,40+/m1/s1
InChI Key DLOJBPLQFCFYKX-QQYYTUMTSA-N
References
1. Dunlop J, Brammer N, Ennis C. (1996)
Pharmacological characterization of a Chinese hamster ovary cell line transfected with the human CCK-B receptor gene.
Neuropeptides, 30 (4): 359-63. [PMID:8914862]