Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L86VTL
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| Ligand Name |
N-[(2s,3r)-4-{[2-(1-Benzylpiperidin-4-Yl)ethyl]amino}-3-Hydroxy-1-Phenylbutan-2-Yl]-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]benzene-1,3-Dicarboxamide
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| Synonyms |
CHEMBL510269; N-[(2s,3r)-4-{[2-(1-Benzylpiperidin-4-Yl)ethyl]amino}-3-Hydroxy-1-Phenylbutan-2-Yl]-5-[methyl(Methylsulfonyl)amino]-N'-[(1r)-1-Phenylethyl]benzene-1,3-Dicarboxamide; BDBM50276554; Q27451428; (1S,2R)-N-{1-Benzyl-2-hydroxy-3-(S)-[2-(1-benzylpiperidin-4-yl)ethylamino]-propyl}-5-[methyl(methylsulfonyl)amino]-N''-[(R)-1-phenylethyl]isophthalamide; 0U4
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| Structure |
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Download2D MOL
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| Formula |
C42H53N5O5S
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| Canonical SMILES |
CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)C(CNCCC4CCN(CC4)CC5=CC=CC=C5)O
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| InChI |
1S/C42H53N5O5S/c1-31(35-17-11-6-12-18-35)44-41(49)36-26-37(28-38(27-36)46(2)53(3,51)52)42(50)45-39(25-33-13-7-4-8-14-33)40(48)29-43-22-19-32-20-23-47(24-21-32)30-34-15-9-5-10-16-34/h4-18,26-28,31-32,39-40,43,48H,19-25,29-30H2,1-3H3,(H,44,49)(H,45,50)/t31-,39+,40-/m1/s1
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| InChIKey |
IMNAYTZSJCRZIO-RLRCJDGOSA-N
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| PubChem Compound ID | ||||
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