Chem
J-GLOBAL ID：201107051355880356   Nikkaji number：J2.901.560K

N-[(3aβ,7aβ)-6-[(R)-α-[(S)-α-Acetoxyphenethyl]-4-methoxybenzyl]-3β-phenyl-7β-benzyl-1-methyloctahydroisoxazolo[3,4-c]pyridine-4α-yl]trichloroacetamide

N-[(3aβ,7aβ)-6-[(R)-α-[(S)-α-アセトキシフェネチル]-4-メトキシベンジル]-3β-フェニル-7β-ベンジル-1-メチルオクタヒドロイソオキサゾロ[3,4-c]ピリジン-4α-イル]トリクロロアセトアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H42Cl3N3O5
Molecular formula furigana： C40-H42-CL3-N3-O5
Molecular weight： 751.140
InChI： InChI=1S/C40H42Cl3N3O5/c1-26(47)50-34(24-28-15-9-5-10-16-28)36(29-19-21-31(49-3)22-20-29)46-25-32(44-39(48)40(41,42)43)35-37(33(46)23-27-13-7-4-8-14-27)45(2)51-38(35)30-17-11-6-12-18-30/h4-22,32-38H,23-25H2,1-3H3,(H,44,48)/t32-,33+,34+,35-,36-,37+,38+/m1/s1
InChI key： KTUXVKZBKBWGLR-WDDJQPBLSA-N
SMILES： COc1ccc(cc1)[C@H]([C@H](Cc1ccccc1)OC(=O)C)N1C[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H]2[C@@H](ON(C)[C@H]2[C@@H]1Cc1ccccc1)c1ccccc1
Systematic name  (3)：
  • N-[(3aβ,7aβ)-6-[(R)-α-[(S)-α-アセトキシフェネチル]-4-メトキシベンジル]-3β-フェニル-7β-ベンジル-1-メチルオクタヒドロイソオキサゾロ[3,4-c]ピリジン-4α-イル]トリクロロアセトアミド
  • (1R,2S)-1-[(3R,3aR,4S,7S,7aR)-7-ベンジル-1-メチル-3-フェニル-4-(2,2,2-トリクロロアセトアミド)-オクタヒドロ-[1,2]オキサゾロ[3,4-c]ピリジン-6-イル]-1-(4-メトキシフェニル)-3-フェニルプロパン-2-イル アセタート
  • (1R,2S)-1-[(3R,3aR,4S,7S,7aR)-7-benzyl-1-methyl-3-phenyl-4-(2,2,2-trichloroacetamido)-octahydro-[1,2]oxazolo[3,4-c]pyridin-6-yl]-1-(4-methoxyphenyl)-3-phenylpropan-2-yl acetate
Other name (1)：
  • N-[(3aβ,7aβ)-6-[(R)-α-[(S)-α-Acetoxyphenethyl]-4-methoxybenzyl]-3β-phenyl-7β-benzyl-1-methyloctahydroisoxazolo[3,4-c]pyridine-4α-yl]trichloroacetamide
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