Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LA8M3C
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| Ligand Name |
C32-O-(1-Ethyl-indol-5-YL)ascomycin
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| Synonyms |
C32-O-(1-ETHYL-INDOL-5-YL)ASCOMYCIN; L-709,858; Q27456837
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| Structure |
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Download2D MOL
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| Formula |
C53H78N2O12
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| Canonical SMILES |
CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)OC5=CC6=C(C=C5)N(C=C6)CC)C)O)C)OC)OC)C)C
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| InChI |
1S/C53H78N2O12/c1-11-37-24-31(3)23-32(4)25-46(63-9)49-47(64-10)27-34(6)53(61,67-49)50(58)51(59)55-21-14-13-15-41(55)52(60)66-48(35(7)42(56)30-43(37)57)33(5)26-36-16-19-44(45(28-36)62-8)65-39-17-18-40-38(29-39)20-22-54(40)12-2/h17-18,20,22,24,26,29,32,34-37,41-42,44-49,56,61H,11-16,19,21,23,25,27-28,30H2,1-10H3/b31-24+,33-26+/t32-,34+,35+,36-,37+,41-,42-,44+,45+,46-,47-,48+,49+,53+/m0/s1
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| InChIKey |
CXVGRMOIFTUTMT-IUQQQLKSSA-N
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| PubChem Compound ID | ||||
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