Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L90LJO
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| Ligand Name |
(2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
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| Synonyms |
(2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid
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| Structure |
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Download2D MOL |
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| Formula |
C29H24F3NO7S
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| Canonical SMILES |
C1C(C2C(=C(C1O2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)S(=O)(=O)N(CC(F)(F)F)C5=CC=C(C=C5)C=CC(=O)O
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| InChI |
1S/C29H24F3NO7S/c30-29(31,32)16-33(20-8-1-17(2-9-20)3-14-25(36)37)41(38,39)24-15-23-26(18-4-10-21(34)11-5-18)27(28(24)40-23)19-6-12-22(35)13-7-19/h1-14,23-24,28,34-35H,15-16H2,(H,36,37)/b14-3+/t23-,24+,28+/m0/s1
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| InChIKey |
WTEAVYHKJTUWSK-OARPOOJSSA-N
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| PubChem Compound ID | ||||
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