Lys-kallidin   Click here for help

GtoPdb Ligand ID: 637

Synonyms: [Lys,Lys]bradykinin
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)CCCN=C(N)N)Cc1ccccc1)CO)Cc1ccccc1)CCCN=C(N)N)NC(=O)C(CCCCN)N
Isomeric SMILES NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)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)N[C@@H](CCCN=C(N)N)C(=O)O
InChI InChI=1S/C62H97N19O13/c63-27-9-7-20-40(65)51(84)74-41(21-8-10-28-64)52(85)75-42(22-11-29-70-61(66)67)57(90)81-33-15-26-49(81)59(92)80-32-13-24-47(80)55(88)72-36-50(83)73-44(34-38-16-3-1-4-17-38)53(86)78-46(37-82)58(91)79-31-14-25-48(79)56(89)77-45(35-39-18-5-2-6-19-39)54(87)76-43(60(93)94)23-12-30-71-62(68)69/h1-6,16-19,40-49,82H,7-15,20-37,63-65H2,(H,72,88)(H,73,83)(H,74,84)(H,75,85)(H,76,87)(H,77,89)(H,78,86)(H,93,94)(H4,66,67,70)(H4,68,69,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChI Key PLJGSWAPCHRWMD-CUZNLEPHSA-N
Classification Click here for help
Compound class Peptide or derivative
Synonyms Click here for help
[Lys,Lys]bradykinin
Database Links Click here for help
GtoPdb PubChem SID 135652274
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