Chem
J-GLOBAL ID：200907088057501477   Nikkaji number：J431.652E

KT-5823

KT-5823
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： C29H25N3O5
Molecular formula furigana： C29-H25-N3-O5
Molecular weight： 495.535
InChI： InChI=1S/C29H25N3O5/c1-28-29(36-4,27(34)35-3)13-20(37-28)31-18-11-7-5-9-15(18)22-23-17(14-30(2)26(23)33)21-16-10-6-8-12-19(16)32(28)25(21)24(22)31/h5-12,20H,13-14H2,1-4H3/t20?,28-,29-/m1/s1
InChI key： QTYMDECKVKSGSM-KTTNGCFTSA-N
SMILES： COC(=O)[C@@]1(C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CN(C)C(=O)c4c4c5ccccc5n2c4c13)OC
Systematic name  (3)：
  • (9R)-2,3,9,10,11,12-ヘキサヒドロ-10β-メトキシ-2,9-ジメチル-1-オキソ-9α,12α-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 (15R,16S,18S)-16-メトキシ-4,15-ジメチル-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 (15R,16S,18S)-16-methoxy-4,15-dimethyl-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 (2)：
  • KT-5823
  • (9R)-2,3,9,10,11,12-Hexahydro-10β-methoxy-2,9-dimethyl-1-oxo-9α,12α-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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