Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE8Y1H
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| Ligand Name |
(3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
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| Synonyms |
CHEMBL4642419; (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid; SCHEMBL20425692; BDBM50539562
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| Structure |
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Download2D MOL |
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| Formula |
C28H28N4O3
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| Canonical SMILES |
CCN1C2=C(C(=C(C=C2)C(CC(=O)O)C3=CC4=C(CCN(C4)C(=O)C5=CC=CC=C5)C=C3)C)N=N1
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| InChI |
1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1
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| InChIKey |
AUCYBCJRRYAJGN-DEOSSOPVSA-N
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| PubChem Compound ID | ||||
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