Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8E0LY
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| Ligand Name |
CypD-IN-3
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| Synonyms |
CypD-IN-3; 2-((4'-(((13S,4S,12S,E)-12-((2-(2-aminoethoxy)ethyl)carbamoyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-en-4-yl)methyl)-[1,1'-biphenyl]-4-yl)methyl)malonic acid; CypD inhibitor B52; GLXC-26710; HY-151487; CS-0614206; 2651994-75-9
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| Structure |
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Download2D MOL
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| Formula |
C53H61N7O11
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| Canonical SMILES |
C1CC2(CN(C1)C(=O)C=CC(=O)NCCC(NC(=O)CC3=CC=CC=C3CNC(=O)C(NC2=O)CC4=CC=C(C=C4)C5=CC=C(C=C5)CC(C(=O)O)C(=O)O)C(=O)NCCOCCN)CC6=CC=CC=C6
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| InChI |
1S/C53H61N7O11/c54-23-27-71-28-25-56-48(64)43-21-24-55-45(61)19-20-47(63)60-26-6-22-53(34-60,32-37-7-2-1-3-8-37)52(70)59-44(49(65)57-33-41-10-5-4-9-40(41)31-46(62)58-43)30-36-13-17-39(18-14-36)38-15-11-35(12-16-38)29-42(50(66)67)51(68)69/h1-5,7-20,42-44H,6,21-34,54H2,(H,55,61)(H,56,64)(H,57,65)(H,58,62)(H,59,70)(H,66,67)(H,68,69)/b20-19+/t43-,44-,53-/m0/s1
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| InChIKey |
ZHNYUSCORILKFS-FCZRSVTRSA-N
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| PubChem Compound ID | ||||
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