angiotensin III   Click here for help

GtoPdb Ligand ID: 585

Synonyms: ang III
Species: Human, Mouse, Rat
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NC(=NCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)NC(=O)C(CC(=O)O)N)N
Isomeric SMILES NC(=NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)C(C)C)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](CC(=O)O)N)N
InChI InChI=1S/C40H60N12O11/c1-20(2)31(50-34(57)26(7-5-13-45-40(42)43)47-33(56)25(41)17-30(54)55)36(59)48-27(15-22-9-11-24(53)12-10-22)35(58)51-32(21(3)4)37(60)49-28(16-23-18-44-19-46-23)38(61)52-14-6-8-29(52)39(62)63/h9-12,18-21,25-29,31-32,53H,5-8,13-17,41H2,1-4H3,(H,44,46)(H,47,56)(H,48,59)(H,49,60)(H,50,57)(H,51,58)(H,54,55)(H,62,63)(H4,42,43,45)/t25-,26-,27-,28-,29-,31-,32-/m0/s1
InChI Key UCRMCWFIVZYPFA-LGXQCQDRSA-N