Chem
J-GLOBAL ID：200907042019073992   Nikkaji number：J2.410.829E

9,12-Epoxy-5,16-bis[(ethylthio)methyl]-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid methyl ester

9,12-エポキシ-5,16-ビス[(エチルチオ)メチル]-2,3,9,10,11,12-ヘキサヒドロ-10-ヒドロキシ-9-メチル-1-オキソ-1H-ジインドロ[1,2,3-fg:3′,2′,1′-kl]ピロロ[3,4-i][1,6]ベンゾジアゾシン-10-カルボン酸メチル
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： C33H33N3O5S2
Molecular formula furigana： C33-H33-N3-O5-S2
Molecular weight： 615.760
InChI： InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)
InChI key： SCMLRESZJCKCTC-UHFFFAOYSA-N
SMILES： CCSCc1ccc2n3C4CC(O)(C(=O)OC)C(C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Systematic name  (3)：
  • 9,12-エポキシ-5,16-ビス[(エチルチオ)メチル]-2,3,9,10,11,12-ヘキサヒドロ-10-ヒドロキシ-9-メチル-1-オキソ-1H-ジインドロ[1,2,3-fg:3′,2′,1′-kl]ピロロ[3,4-i][1,6]ベンゾジアゾシン-10-カルボン酸メチル
  • メチル 10,23-ビス[(エチルスルファニル)メチル]-16-ヒドロキシ-15-メチル-3-オキソ-28-オキサ-4,14,19-トリアザオクタシクロ[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]オクタコサ-1(26),2(6),7(27),8(13),9,11,20,22,24-ノナエン-16-カルボキシラート
  • methyl 10,23-bis[(ethylsulfanyl)methyl]-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1(26),2(6),7(27),8(13),9,11,20,22,24-nonaene-16-carboxylate
Other name (1)：
  • 9,12-Epoxy-5,16-bis[(ethylthio)methyl]-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid methyl ester
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