[des-Arg11]T-kinin   Click here for help

GtoPdb Ligand ID: 645

Synonyms: [Ile,Ser,des-Arg9]bradykinin
Comment: Synthetic analogue of T-kinin
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CCC(C(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)CO)N)C
Isomeric SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI InChI=1S/C53H77N13O13/c1-3-31(2)43(54)48(74)62-37(29-67)45(71)60-34(18-10-22-57-53(55)56)49(75)66-25-13-21-41(66)51(77)65-24-11-19-39(65)46(72)58-28-42(69)59-35(26-32-14-6-4-7-15-32)44(70)63-38(30-68)50(76)64-23-12-20-40(64)47(73)61-36(52(78)79)27-33-16-8-5-9-17-33/h4-9,14-17,31,34-41,43,67-68H,3,10-13,18-30,54H2,1-2H3,(H,58,72)(H,59,69)(H,60,71)(H,61,73)(H,62,74)(H,63,70)(H,78,79)(H4,55,56,57)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,43-/m0/s1
InChI Key CBMZEVSWOFDCEK-FZCIQGMESA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
[Ile,Ser,des-Arg9]bradykinin
Database Links Click here for help
GtoPdb PubChem SID 135652110
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