Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6RZ7G
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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]-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]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid; CHEMBL3701219; SCHEMBL14874124; SCHEMBL16046997; BDBM161052; US9108951, 3; (S,E)-4-(2-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)acryloyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid; BUY
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| Structure |
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Download2D MOL |
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| Formula |
C27H21ClN6O4
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| Canonical SMILES |
C1CN(C(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C=CC4=C(C=CC(=C4)Cl)N5C=NN=N5
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| InChI |
1S/C27H21ClN6O4/c28-20-8-11-23(34-16-29-31-32-34)19(15-20)7-12-24(35)33-14-13-17-3-1-2-4-22(17)25(33)26(36)30-21-9-5-18(6-10-21)27(37)38/h1-12,15-16,25H,13-14H2,(H,30,36)(H,37,38)/b12-7+/t25-/m0/s1
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| InChIKey |
XLVCNINDJUKQNE-FRHHVXPKSA-N
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| PubChem Compound ID | ||||
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