Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L29OBD
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Ligand Name |
N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Iodobenzyl)amino]propyl}-5-Methyl-N,N-Dipropylisophthalamide
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Synonyms |
388063-46-5; CHEMBL373533; N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-((3-iodobenzyl)amino)butan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide; N'-{(1s,2r)-1-(3,5-Difluorobenzyl)-2-Hydroxy-3-[(3-Iodobenzyl)amino]propyl}-5-Methyl-N,N-Dipropylisophthalamide; SCHEMBL3348071; BDBM15797; ZINC24904840; hydroxyethyl secondary amine (HEA) inhibitor 6b; Q27460125; (1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-iodobenzylamino)-propyl]-5-methyl -N,N-dipropylisophthalamide; 3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(3-iodophenyl)methyl]amino}butan-2-yl]-5-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide; F2I; N'-[(1S,2R)-2-Hydroxy-3-(3-iodobenzylamino)-1-(3,5-difluorobenzyl)propyl]-5-methyl-N,N-dipropylisophthalamide; N1-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-iodophenyl)methylamino]propyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
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Structure |
Download2D MOL
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Formula |
C32H38F2IN3O3
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Canonical SMILES |
CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNCC3=CC(=CC=C3)I)O)C
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InChI |
1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
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InChIKey |
FSQSHDXWJKXBPP-XZWHSSHBSA-N
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PubChem Compound ID |
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