Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8GMB9
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| Ligand Name |
(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
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| Synonyms |
CHEMBL4636738; (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid; BDBM50540634; LQ8
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| Structure |
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Download2D MOL |
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| Formula |
C28H30N2O7
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| Canonical SMILES |
C1CCC(C(C1)C(=O)N2CCC3=C(C2CN4C(=O)C5=CC=CC=C5C4=O)C=CC=C3OCCO)C(=O)O
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| InChI |
1S/C28H30N2O7/c31-14-15-37-24-11-5-10-17-18(24)12-13-29(25(32)21-8-3-4-9-22(21)28(35)36)23(17)16-30-26(33)19-6-1-2-7-20(19)27(30)34/h1-2,5-7,10-11,21-23,31H,3-4,8-9,12-16H2,(H,35,36)/t21-,22+,23-/m1/s1
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| InChIKey |
OAFSXLXCZSBCHE-XPWALMASSA-N
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| PubChem Compound ID | ||||
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