Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9PI4C
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| Ligand Name |
(2s,4s,5r,7r)-4-Amino-8-(Butylamino)-5-Hydroxy-2,7-Dimethyl-8-Oxooctyl 1-Benzyl-1h-Indole-3-Carboxylate
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| Synonyms |
(2s,4s,5r,7r)-4-Amino-8-(Butylamino)-5-Hydroxy-2,7-Dimethyl-8-Oxooctyl 1-Benzyl-1h-Indole-3-Carboxylate; Renin nonpeptide inhibitor, 6; BDBM17946; (2S,4S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-2,7-dimethylheptyl 1-benzyl-1H-indole-3-carboxylate; C80
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| Structure |
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Download2D MOL
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| Formula |
C30H41N3O4
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| Canonical SMILES |
CCCCNC(=O)C(C)CC(C(CC(C)COC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)N)O
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| InChI |
1S/C30H41N3O4/c1-4-5-15-32-29(35)22(3)17-28(34)26(31)16-21(2)20-37-30(36)25-19-33(18-23-11-7-6-8-12-23)27-14-10-9-13-24(25)27/h6-14,19,21-22,26,28,34H,4-5,15-18,20,31H2,1-3H3,(H,32,35)/t21-,22+,26-,28?/m0/s1
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| InChIKey |
XZLFXZZCYRJLTI-RFIFNAJASA-N
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| PubChem Compound ID | ||||
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