Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LK2U8Z
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| Ligand Name |
(4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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| Synonyms |
CHEMBL4173216; (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide; 8Z0; BDBM50288363; (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(7-methoxybenzofuran-2-carbonyl)amino]-2-[(3R)-tetrahydrofuran-3-yl]acetyl]amino]-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carboxamide
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| Structure |
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Download2D MOL
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| Formula |
C41H48N4O8S
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| Canonical SMILES |
CC1=C(C(=CC=C1)C)CNC(=O)C2C(SCN2C(=O)C(C(CC3=CC=CC=C3)NC(=O)C(C4CCOC4)NC(=O)C5=CC6=C(O5)C(=CC=C6)OC)O)(C)C
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| InChI |
1S/C41H48N4O8S/c1-24-11-9-12-25(2)29(24)21-42-39(49)36-41(3,4)54-23-45(36)40(50)34(46)30(19-26-13-7-6-8-14-26)43-38(48)33(28-17-18-52-22-28)44-37(47)32-20-27-15-10-16-31(51-5)35(27)53-32/h6-16,20,28,30,33-34,36,46H,17-19,21-23H2,1-5H3,(H,42,49)(H,43,48)(H,44,47)/t28-,30-,33-,34-,36+/m0/s1
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| InChIKey |
ZNVSERMHCCYPMY-JZILQDPNSA-N
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| PubChem Compound ID | ||||
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