Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LBA74J
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| Ligand Name |
(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
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| Synonyms |
(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid; Q57
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| Structure |
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Download2D MOL |
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| Formula |
C25H28ClNO4
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| Canonical SMILES |
C1CC(C1)CN2CC3(CCCC4=C3C=CC(=C4)Cl)COC5=C2C=C(C=C5)C(C(=O)O)O
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| InChI |
1S/C25H28ClNO4/c26-19-7-8-20-17(11-19)5-2-10-25(20)14-27(13-16-3-1-4-16)21-12-18(23(28)24(29)30)6-9-22(21)31-15-25/h6-9,11-12,16,23,28H,1-5,10,13-15H2,(H,29,30)/t23-,25+/m1/s1
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| InChIKey |
COMWCPYAPXFWGY-NOZRDPDXSA-N
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| PubChem Compound ID | ||||
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