Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9C0JD
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| Ligand Name |
4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
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| Synonyms |
4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
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| Structure |
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Download2D MOL
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| Formula |
C36H34ClN7O7
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| Canonical SMILES |
CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC3=C2CCN(C3C(=O)NC4=CC=C(C=C4)C(=O)O)C(=O)C=CC5=C(C=CC(=C5)Cl)N6C=NN=N6
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| InChI |
1S/C36H34ClN7O7/c1-2-51-36(50)24-5-4-17-42(20-24)34(47)29-7-3-6-28-27(29)16-18-43(32(28)33(46)39-26-12-8-22(9-13-26)35(48)49)31(45)15-10-23-19-25(37)11-14-30(23)44-21-38-40-41-44/h3,6-15,19,21,24,32H,2,4-5,16-18,20H2,1H3,(H,39,46)(H,48,49)/b15-10+/t24-,32-/m0/s1
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| InChIKey |
ZDVKEWAKPHMOKV-WTBNABMMSA-N
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| PubChem Compound ID | ||||
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