Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LMAE45
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| Ligand Name |
N1-[(1S,2R)-1-benzyl-2-hydroxy-3-[[4-(hydroxymethyl)phenyl]sulfonyl-isobutyl-amino]propyl]-N3-methyl-N3-[(4-methyloxazol-2-yl)methyl]benzene-1,3-dicarboxamide
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| Synonyms |
CHEMBL3627877; SCHEMBL12516436; BDBM171371; US9085571, Table 1, Compound 19; N1-[(1S,2R)-1-benzyl-2-hydroxy-3-[[4-(hydroxymethyl)phenyl]sulfonyl-isobutyl-amino]propyl]-N3-methyl-N3-[(4-methyloxazol-2-yl)methyl]benzene-1,3-dicarboxamide
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| Structure |
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Download2D MOL
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| Formula |
C35H42N4O7S
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| Canonical SMILES |
CC1=COC(=N1)CN(C)C(=O)C2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(CN(CC(C)C)S(=O)(=O)C4=CC=C(C=C4)CO)O
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| InChI |
1S/C35H42N4O7S/c1-24(2)19-39(47(44,45)30-15-13-27(22-40)14-16-30)20-32(41)31(17-26-9-6-5-7-10-26)37-34(42)28-11-8-12-29(18-28)35(43)38(4)21-33-36-25(3)23-46-33/h5-16,18,23-24,31-32,40-41H,17,19-22H2,1-4H3,(H,37,42)/t31-,32+/m0/s1
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| InChIKey |
PQWSVCGBIGOYSI-AJQTZOPKSA-N
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| PubChem Compound ID | ||||
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