Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L3J9VE
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| Ligand Name |
3-[4-[4-[[(1S,4S,17S)-17-[2-(2-aminoethoxy)ethylcarbamoyl]-1-benzyl-2,5,15,21,24-pentaoxo-3,6,16,20,25-pentazatricyclo[23.3.1.08,13]nonacosa-8,10,12-trien-4-yl]methyl]phenyl]phenyl]propanoic acid
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| Structure |
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Download2D MOL
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| Formula |
C52H63N7O9
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| Canonical SMILES |
C1CC2(CN(C1)C(=O)CCC(=O)NCCC(NC(=O)CC3=CC=CC=C3CNC(=O)C(NC2=O)CC4=CC=C(C=C4)C5=CC=C(C=C5)CCC(=O)O)C(=O)NCCOCCN)CC6=CC=CC=C6
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| InChI |
1S/C52H63N7O9/c53-25-29-68-30-27-55-49(65)43-23-26-54-45(60)20-21-47(62)59-28-6-24-52(35-59,33-38-7-2-1-3-8-38)51(67)58-44(50(66)56-34-42-10-5-4-9-41(42)32-46(61)57-43)31-37-13-18-40(19-14-37)39-16-11-36(12-17-39)15-22-48(63)64/h1-5,7-14,16-19,43-44H,6,15,20-35,53H2,(H,54,60)(H,55,65)(H,56,66)(H,57,61)(H,58,67)(H,63,64)/t43-,44-,52-/m0/s1
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| InChIKey |
RBJUTCZBSRWOIA-UZDXTUGZSA-N
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| PubChem Compound ID | ||||
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