Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG58TV
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| Ligand Name |
(2S)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid
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| Synonyms |
(2S)-2-[[4-butoxy-3-[(pyren-1-ylcarbonylamino)methyl]phenyl]methyl]butanoic acid; HVX
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| Structure |
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Download2D MOL |
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| Formula |
C33H33NO4
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| Canonical SMILES |
CCCCOC1=C(C=C(C=C1)CC(CC)C(=O)O)CNC(=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2
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| InChI |
1S/C33H33NO4/c1-3-5-17-38-29-16-9-21(18-22(4-2)33(36)37)19-26(29)20-34-32(35)28-15-13-25-11-10-23-7-6-8-24-12-14-27(28)31(25)30(23)24/h6-16,19,22H,3-5,17-18,20H2,1-2H3,(H,34,35)(H,36,37)/t22-/m0/s1
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| InChIKey |
WSOVEWUQPNQRKQ-QFIPXVFZSA-N
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| PubChem Compound ID | ||||
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