Chem
J-GLOBAL ID：200907001490263647   Nikkaji number：J768.917I

(9S)-2,3,9,10,11,12-Hexahydro-10α-(methylamino)-9-methyl-1-oxo-9β,12β-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid methyl ester

(9S)-2,3,9,10,11,12-ヘキサヒドロ-10α-(メチルアミノ)-9-メチル-1-オキソ-9β,12β-エポキシ-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： C28H24N4O4
Molecular formula furigana： C28-H24-N4-O4
Molecular weight： 480.524
InChI： InChI=1S/C28H24N4O4/c1-27-28(29-2,26(34)35-3)12-19(36-27)31-17-10-6-4-8-14(17)21-22-16(13-30-25(22)33)20-15-9-5-7-11-18(15)32(27)24(20)23(21)31/h4-11,19,29H,12-13H2,1-3H3,(H,30,33)/t19?,27-,28-/m0/s1
InChI key： BWAJOEQBPYCWCG-JXHWRRICSA-N
SMILES： CN[C@@]1(C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)C(=O)OC
Systematic name  (3)：
  • (9S)-2,3,9,10,11,12-ヘキサヒドロ-10α-(メチルアミノ)-9-メチル-1-オキソ-9β,12β-エポキシ-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 (15S,16R,18R)-15-メチル-16-(メチルアミノ)-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 (15S,16R,18R)-15-methyl-16-(methylamino)-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)：
  • (9S)-2,3,9,10,11,12-Hexahydro-10α-(methylamino)-9-methyl-1-oxo-9β,12β-epoxy-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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