Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8TK6V
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| Ligand Name |
N-[(2s,3s,5r)-1-[(3,5-Difluorophenyl)methoxy]-3-Hydroxy-5-Methyl-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 |
CHEMBL1076902; N-[(2s,3s,5r)-1-[(3,5-Difluorophenyl)methoxy]-3-Hydroxy-5-Methyl-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; 3ixk; BDBM50312538; Q27456945; N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-benzyloxymethyl)-2-hydroxypentyl]-5-(methanesulfonyl-methyl-amino)-N''-((R)-1-phenylethyl)-isophthalamide; N-[(2S,3S,5R)-1-[(3,5-difluorophenyl)methoxy]-3-hydroxy-5-methyl-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 |
C44H53F2N5O8S
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| Canonical SMILES |
CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(C)CC(C(COCC2=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
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| InChI |
1S/C44H53F2N5O8S/c1-27(2)40(44(56)47-24-30-13-9-7-10-14-30)50-41(53)28(3)17-39(52)38(26-59-25-31-18-35(45)23-36(46)19-31)49-43(55)34-20-33(21-37(22-34)51(5)60(6,57)58)42(54)48-29(4)32-15-11-8-12-16-32/h7-16,18-23,27-29,38-40,52H,17,24-26H2,1-6H3,(H,47,56)(H,48,54)(H,49,55)(H,50,53)/t28-,29-,38+,39+,40+/m1/s1
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| InChIKey |
SQCCLROLILAOBD-MLLWAOEYSA-N
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| PubChem Compound ID | ||||
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