Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LM59QH
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| Ligand Name |
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-3-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
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| Synonyms |
N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]-3-[(2r)-2-(4-Methyl-1,3-Thiazol-2-Yl)pyrrolidine-1-Carbonyl]benzamide; N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]-3-[(2R)-2-(4-methylthiazol-2-yl)pyrrolidine-1-carbonyl]benzamide; SCHEMBL7948258; CHEMBL3683778; BDBM171382; US9085571, Table 1, Compound 30; 8FP; N-[(2S,3R)-3-Hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-{[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]carbonyl}benzamide
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| Structure |
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Download2D MOL
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| Formula |
C37H44N4O6S2
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| Canonical SMILES |
CC1=CSC(=N1)C2CCCN2C(=O)C3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(CN(CC(C)C)S(=O)(=O)C5=CC=C(C=C5)OC)O
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| InChI |
1S/C37H44N4O6S2/c1-25(2)22-40(49(45,46)31-17-15-30(47-4)16-18-31)23-34(42)32(20-27-10-6-5-7-11-27)39-35(43)28-12-8-13-29(21-28)37(44)41-19-9-14-33(41)36-38-26(3)24-48-36/h5-8,10-13,15-18,21,24-25,32-34,42H,9,14,19-20,22-23H2,1-4H3,(H,39,43)/t32-,33+,34+/m0/s1
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| InChIKey |
ZHCCHBWXFODCGA-LBFZIJHGSA-N
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| PubChem Compound ID | ||||
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