Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LG0M3U
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| Ligand Name |
(1R,9S,12S,14Z,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-14-ethoxyimino-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,20-tetrone
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| Structure |
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Download2D MOL
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| Formula |
C53H84N2O13
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| Canonical SMILES |
CCON=C1CC(OC(=O)C2CCCCN2C(=O)C(=O)C3(C(CCC(O3)CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC1C)C)O)OC)C)C)C)OC)C)O)C(C)CC4CCC(C(C4)OC)O
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| InChI |
1S/C53H84N2O13/c1-12-66-54-41-31-45(35(5)28-39-22-24-43(56)46(29-39)64-10)67-52(61)42-20-16-17-25-55(42)51(60)50(59)53(62)38(8)21-23-40(68-53)30-44(63-9)33(3)19-15-13-14-18-32(2)26-36(6)47(57)49(65-11)48(58)37(7)27-34(41)4/h13-15,18-19,27,32,34-36,38-40,42-46,48-49,56,58,62H,12,16-17,20-26,28-31H2,1-11H3/b15-13+,18-14+,33-19+,37-27+,54-41-/t32-,34-,35-,36-,38-,39+,40+,42+,43-,44+,45+,46-,48-,49+,53-/m1/s1
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| InChIKey |
IXUFGPUKUHVQKU-PMNVLHNXSA-N
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| PubChem Compound ID | ||||
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