T-kinin   

GtoPdb Ligand ID: 639

Synonyms: [Ile,Ser]bradykinin | Ile-Ser-BK
Species: Human, Rat
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES OCC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)CO)CCCN=C(N)N
Isomeric SMILES OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)N)CO)CCCN=C(N)N
InChI InChI=1S/C59H89N17O14/c1-3-34(2)47(60)53(85)72-41(32-77)50(82)69-37(19-10-24-65-58(61)62)54(86)76-28-14-23-45(76)56(88)75-27-12-21-43(75)51(83)67-31-46(79)68-39(29-35-15-6-4-7-16-35)48(80)73-42(33-78)55(87)74-26-13-22-44(74)52(84)71-40(30-36-17-8-5-9-18-36)49(81)70-38(57(89)90)20-11-25-66-59(63)64/h4-9,15-18,34,37-45,47,77-78H,3,10-14,19-33,60H2,1-2H3,(H,67,83)(H,68,79)(H,69,82)(H,70,81)(H,71,84)(H,72,85)(H,73,80)(H,89,90)(H4,61,62,65)(H4,63,64,66)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,47-/m0/s1
InChI Key GKCWYHPGFSRBQV-WRBAKOPXSA-N