Chem
J-GLOBAL ID：200907014811845680   Nikkaji number：J2.060.580D

(3S,4aβ,8aβ)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-[[N2-(2-quinolinylcarbonyl)-L-asparaginyl]amino]-4-phenylbutyl]decahydroisoquinoline-3α-carboxamide

(3S,4aβ,8aβ)-N-tert-ブチル-2-[(2R,3R)-2-ヒドロキシ-3-[[N2-(2-キノリニルカルボニル)-L-アスパラギニル]アミノ]-4-フェニルブチル]デカヒドロイソキノリン-3α-カルボアミド
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： C38H50N6O5
Molecular formula furigana： C38-H50-N6-O5
Molecular weight： 670.855
InChI： InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30+,31-,32-,33+/m0/s1
InChI key： QWAXKHKRTORLEM-YTVNLCGNSA-N
SMILES： CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)N)NC(=O)c1ccc2ccccc2n1
Systematic name  (3)：
  • (3S,4aβ,8aβ)-N-tert-ブチル-2-[(2R,3R)-2-ヒドロキシ-3-[[N2-(2-キノリニルカルボニル)-L-アスパラギニル]アミノ]-4-フェニルブチル]デカヒドロイソキノリン-3α-カルボアミド
  • (2S)-N-[(2R,3R)-4-[(3S,4aS,8aS)-3-(tert-ブチルカルバモイル)-デカヒドロイソキノリン-2-イル]-3-ヒドロキシ-1-フェニルブタン-2-イル]-2-[(キノリン-2-イル)ホルムアミド]ブタンジアミド
  • (2S)-N-[(2R,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-[(quinolin-2-yl)formamido]butanediamide
Other name (1)：
  • (3S,4aβ,8aβ)-N-tert-Butyl-2-[(2R,3R)-2-hydroxy-3-[[N2-(2-quinolinylcarbonyl)-L-asparaginyl]amino]-4-phenylbutyl]decahydroisoquinoline-3α-carboxamide
Thsaurus map：
Thesaurus Map

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