Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9N6KV
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| Ligand Name |
(2s,3s,5s)-5-[(N-Formyl-L-Leucyl)oxy]-2-Hexyl-3-Hydroxyhexadecanoic Acid
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| Synonyms |
130676-66-3; Orlistat (m1); (2s,3s,5s)-5-[(N-Formyl-L-Leucyl)oxy]-2-Hexyl-3-Hydroxyhexadecanoic Acid; Orlistat open ring (S,S)-isomer; LL6562DY22; Orlistat open ring (2S,3S,5S)-isomer; (2S,3S,5S)-5-[(2S)-2-formamido-4-methylpentanoyl]oxy-2-hexyl-3-hydroxyhexadecanoic acid; L-Leucine, N-formyl-, (1S)-1-((2S,3S)-3-carboxy-2-hydroxynonyl)dodecyl ester; L-Leucine, N-formyl-, (1S)-1-[(2S,3S)-3-carboxy-2-hydroxynonyl]dodecyl ester; Orlistat Impurity M1; DH9; UNII-LL6562DY22; SCHEMBL3358240; ZINC16052407; (2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid(Orlistat Impurity); (2S,3S,5S)-5-[[(S)-2-(Formylamino)-4-methylpentanoyl]oxy]-2-hexyl-3-hydroxyhexadecanoic Acid; Q27459231; (2S,3S,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic Acid (Orlistat Impurity) (>80%)
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| Structure |
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Download2D MOL
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| Formula |
C29H55NO6
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| Canonical SMILES |
CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC(=O)C(CC(C)C)NC=O
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| InChI |
1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1
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| InChIKey |
FKUNIADJSAJLGB-FWEHEUNISA-N
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| PubChem Compound ID | ||||
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