Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L31BGI
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| Ligand Name |
(2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
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| Synonyms |
(2~{R},3~{S},4~{S})-1-[(2~{S})-2-acetamido-3,3-dimethyl-butanoyl]-3-fluoranyl-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide; SCHEMBL21273371
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| Structure |
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Download2D MOL |
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| Formula |
C24H31FN4O4S
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| Canonical SMILES |
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3C(C(CN3C(=O)C(C(C)(C)C)NC(=O)C)O)F
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| InChI |
1S/C24H31FN4O4S/c1-13-20(34-12-27-13)16-8-6-15(7-9-16)10-26-22(32)19-18(25)17(31)11-29(19)23(33)21(24(3,4)5)28-14(2)30/h6-9,12,17-19,21,31H,10-11H2,1-5H3,(H,26,32)(H,28,30)/t17-,18+,19-,21+/m0/s1
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| InChIKey |
MNNVXLLCYGGFOQ-YOUFYPILSA-N
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| PubChem Compound ID | ||||
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