Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6UR9M
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| Ligand Name |
[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate
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| Synonyms |
[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate
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| Structure |
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Download2D MOL |
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| Formula |
C32H34Cl2F2N3O8S+
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| Canonical SMILES |
CN(C)C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2C(=O)OC(CC3=C(C=[N+](C=C3Cl)O)Cl)C4=CC(=C(C=C4)OC(F)F)OCC5CC5
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| InChI |
1S/C32H34Cl2F2N3O8S/c1-37(2)30(40)21-5-3-6-22(13-21)48(43,44)39-12-4-7-26(39)31(41)46-28(15-23-24(33)16-38(42)17-25(23)34)20-10-11-27(47-32(35)36)29(14-20)45-18-19-8-9-19/h3,5-6,10-11,13-14,16-17,19,26,28,32,42H,4,7-9,12,15,18H2,1-2H3/q+1/t26-,28-/m0/s1
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| InChIKey |
JHJKKEUBRJUDFY-XCZPVHLTSA-N
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| PubChem Compound ID | ||||
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