Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8DNM9
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| Ligand Name |
(2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide
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| Synonyms |
(2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide; BACE_19; SCHEMBL4336000; BDBM586687; E51
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| Structure |
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Download2D MOL |
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| Formula |
C26H42N2O5S
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| Canonical SMILES |
CCCCNC(=O)C(C)CC(C1CC(CCC2=CC(=CC=C2)CS(=O)(=O)CC(C(=O)N1)C)C)O
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| InChI |
1S/C26H42N2O5S/c1-5-6-12-27-25(30)19(3)14-24(29)23-13-18(2)10-11-21-8-7-9-22(15-21)17-34(32,33)16-20(4)26(31)28-23/h7-9,15,18-20,23-24,29H,5-6,10-14,16-17H2,1-4H3,(H,27,30)(H,28,31)/t18-,19-,20-,23+,24+/m1/s1
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| InChIKey |
RYVHNXNTYFQKLT-FSQPGOEKSA-N
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| PubChem Compound ID | ||||
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