MHC binding peptide   Click here for help

GtoPdb Ligand ID: 6250

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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES CSCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)C(O)C)CC(C)C)C(CC)C)CC(=O)N)C(CC)C)Cc1ccccc1)Cc1ccc(cc1)O)N
Isomeric SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)CC
InChI InChI=1S/C55H86N10O13S/c1-11-31(7)44(52(74)60-38(24-29(3)4)49(71)65-46(33(9)66)54(76)62-42(55(77)78)25-30(5)6)64-51(73)41(28-43(57)68)61-53(75)45(32(8)12-2)63-50(72)40(26-34-16-14-13-15-17-34)59-48(70)39(27-35-18-20-36(67)21-19-35)58-47(69)37(56)22-23-79-10/h13-21,29-33,37-42,44-46,66-67H,11-12,22-28,56H2,1-10H3,(H2,57,68)(H,58,69)(H,59,70)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,73)(H,65,71)(H,77,78)/t31-,32-,33+,37-,38-,39-,40-,41-,42-,44-,45-,46-/m0/s1
InChI Key LZOIGVDSAMDBIO-LXWJMTKESA-N
Classification Click here for help
Compound class Peptide or derivative
Database Links Click here for help
GtoPdb PubChem SID 178102870
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