Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG4CV3
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| Ligand Name |
N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Synonyms |
CHEMBL591644; N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide; 3i25; BDBM50307361; Q27463583; MV7; N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methylamino)-N''-((R)-1-phenyl-ethyl)-isophthalamide; N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N''-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
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| Structure |
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Download2D MOL
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| Formula |
C45H55F2N5O10S
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| Canonical SMILES |
CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(CC(C(COC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C(=O)NC(C)C4=CC=CC=C4)N(C)S(=O)(=O)C)O)OCCOC
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| InChI |
1S/C45H55F2N5O10S/c1-28(2)41(45(57)48-26-30-13-9-7-10-14-30)51-44(56)40(61-18-17-60-5)25-39(53)38(27-62-37-23-34(46)22-35(47)24-37)50-43(55)33-19-32(20-36(21-33)52(4)63(6,58)59)42(54)49-29(3)31-15-11-8-12-16-31/h7-16,19-24,28-29,38-41,53H,17-18,25-27H2,1-6H3,(H,48,57)(H,49,54)(H,50,55)(H,51,56)/t29-,38+,39+,40-,41+/m1/s1
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| InChIKey |
RSTFVOGBJGGSOD-NDKACYJFSA-N
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| PubChem Compound ID | ||||
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