Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9SQG3
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| Ligand Name |
(1r,3s)-3-[1-(Acetylamino)-1-Methylethyl]-N-[(1s,2s,4r)-1-Benzyl-5-(Butylamino)-2-Hydroxy-4-Methyl-5-Oxopentyl]cyclohexanecarboxamide
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| Synonyms |
CHEMBL1093388; (1r,3s)-3-[1-(Acetylamino)-1-Methylethyl]-N-[(1s,2s,4r)-1-Benzyl-5-(Butylamino)-2-Hydroxy-4-Methyl-5-Oxopentyl]cyclohexanecarboxamide; 3k5f; SCHEMBL4027277; BDBM50313800; Q27458128; (1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl)cyclohexanecarboxamide; AYH
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| Structure |
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Download2D MOL
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| Formula |
C29H47N3O4
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| Canonical SMILES |
CCCCNC(=O)C(C)CC(C(CC1=CC=CC=C1)NC(=O)C2CCCC(C2)C(C)(C)NC(=O)C)O
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| InChI |
1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/m1/s1
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| InChIKey |
NGUMIHCAWWHVPZ-MTKOPPBXSA-N
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| PubChem Compound ID | ||||
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