CTOP   Click here for help

GtoPdb Ligand ID: 1674

Synonyms: Ctop-NH2 | CTOPA
Comment: This compound is also represented on PubChem without specified stereochemistry by the entry CID 2884.
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCC1NC(=O)C(NC(=O)C(NC(=O)C(CSSC(C(NC(=O)C(NC1=O)C(O)C)C(=O)NC(C(=O)N)C(O)C)(C)C)NC(=O)C(Cc1ccccc1)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2
Isomeric SMILES NCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC([C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2
InChI InChI=1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t26-,27-,33-,35+,36+,37-,38+,39+,40+,41-/m1/s1
InChI Key PZWWYAHWHHNCHO-FGHAYEPSSA-N
References
1. Raynor K, Kong H, Chen Y, Yasuda K, Yu L, Bell GI, Reisine T. (1994)
Pharmacological characterization of the cloned kappa-, delta-, and mu-opioid receptors.
Mol Pharmacol, 45 (2): 330-4. [PMID:8114680]