Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3J5OG
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| Ligand Name |
2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-Cyclohex-2-En-1-Yl]-2-(3,4,5-Trimethoxyphenyl)acetyl]piperidin-2-Yl}carbonyl)oxy]-3-(3,4-Dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoic Acid
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| Synonyms |
2-(5-{[({3-[(1r)-1-[({(2s)-1-[(2s)-2-[(1s)-Cyclohex-2-En-1-Yl]-2-(3,4,5-Trimethoxyphenyl)acetyl]piperidin-2-Yl}carbonyl)oxy]-3-(3,4-Dimethoxyphenyl)propyl]phenoxy}acetyl)amino]methyl}-6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoic Acid
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| Structure |
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Download2D MOL
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| Formula |
C63H64N2O15
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| Canonical SMILES |
COC1=C(C=C(C=C1)CCC(C2=CC(=CC=C2)OCC(=O)NCC3=C(C=CC4=C3OC5=CC(=O)C=CC5=C4C6=CC=CC=C6C(=O)O)O)OC(=O)C7CCCCN7C(=O)C(C8CCCC=C8)C9=CC(=C(C(=C9)OC)OC)OC)OC
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| InChI |
1S/C63H64N2O15/c1-73-51-28-22-37(30-53(51)74-2)21-27-50(80-63(72)48-20-11-12-29-65(48)61(69)57(38-14-7-6-8-15-38)40-32-54(75-3)60(77-5)55(33-40)76-4)39-16-13-17-42(31-39)78-36-56(68)64-35-47-49(67)26-25-46-58(43-18-9-10-19-44(43)62(70)71)45-24-23-41(66)34-52(45)79-59(46)47/h7,9-10,13-14,16-19,22-26,28,30-34,38,48,50,57,67H,6,8,11-12,15,20-21,27,29,35-36H2,1-5H3,(H,64,68)(H,70,71)/t38-,48+,50-,57+/m1/s1
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| InChIKey |
VYEGSGNDADHBPR-OQAOPSLVSA-N
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| PubChem Compound ID | ||||
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