EISAI-1   Click here for help

GtoPdb Ligand ID: 1566

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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(C)(C)C)C(=O)NC(C(=O)OCC)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)C(CCCN=C(N)N)NC
Isomeric SMILES NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)OCC)CC(C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCN=C(N)N)NC
InChI InChI=1S/C43H71N11O7/c1-8-61-41(60)33(23-26(2)3)52-39(58)35(43(4,5)6)53-37(56)32(24-27-25-49-29-16-10-9-15-28(27)29)51-38(57)34-19-14-22-54(34)40(59)31(17-11-12-20-44)50-36(55)30(47-7)18-13-21-48-42(45)46/h9-10,15-16,25-26,30-35,47,49H,8,11-14,17-24,44H2,1-7H3,(H,50,55)(H,51,57)(H,52,58)(H,53,56)(H4,45,46,48)/t30-,31-,32-,33-,34-,35+/m0/s1
InChI Key BLWANJSERJECRU-ULWXFTFZSA-N
References
1. Skrzydelski D, Lhiaubet AM, Lebeau A, Forgez P, Yamada M, Hermans E, Rostene W, Pelaprat D. (2003)
Differential involvement of intracellular domains of the rat NTS1 neurotensin receptor in coupling to G proteins: a molecular basis for agonist-directed trafficking of receptor stimulus.
Mol. Pharmacol., 64 (2): 421-9. [PMID:12869647]