Chem
J-GLOBAL ID：201607005830064556   Nikkaji number：J3.526.168K

N-[2-[3-(3-Butynyl)-3H-diazirine-3-yl]ethyl]-4-[methyl[(2S,3R,4R,6R)-2,6-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12,13-diyl)-3-methoxy-2-methyltetrahydro-2H-pyran-4-yl]amino]-4-oxobutanamide

N-[2-[3-(3-ブチニル)-3H-ジアジリン-3-イル]エチル]-4-[メチル[(2S,3R,4R,6R)-2,6-(5-オキソ-6,7,12,13-テトラヒドロ-5H-インドロ[2,3-a]ピロロ[3,4-c]カルバゾール-12,13-ジイル)-3-メトキシ-2-メチルテトラヒドロ-2H-ピラン-4-イル]アミノ]-4-オキソブタンアミド
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： C39H39N7O5
Molecular formula furigana： C39-H39-N7-O5
Molecular weight： 685.785
InChI： InChI=1S/C39H39N7O5/c1-5-6-17-39(42-43-39)18-19-40-28(47)15-16-29(48)44(3)27-20-30-45-25-13-9-7-11-22(25)32-33-24(21-41-37(33)49)31-23-12-8-10-14-26(23)46(35(31)34(32)45)38(2,51-30)36(27)50-4/h1,7-14,27,30,36H,6,15-21H2,2-4H3,(H,40,47)(H,41,49)/t27-,30-,36-,38+/m1/s1
InChI key： KTTLTTDDOPSDQD-ZOPJARKFSA-N
SMILES： CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)CCC(=O)NCCC1(CCC#C)N=N1
Systematic name  (3)：
  • N-[2-[3-(3-ブチニル)-3H-ジアジリン-3-イル]エチル]-4-[メチル[(2S,3R,4R,6R)-2,6-(5-オキソ-6,7,12,13-テトラヒドロ-5H-インドロ[2,3-a]ピロロ[3,4-c]カルバゾール-12,13-ジイル)-3-メトキシ-2-メチルテトラヒドロ-2H-ピラン-4-イル]アミノ]-4-オキソブタンアミド
  • N-{2-[3-(ブタ-3-イン-1-イル)-3H-ジアジリン-3-イル]エチル}-N'-[(2S,3R,4R,6R)-3-メトキシ-2-メチル-16-オキソ-29-オキサ-1,7,17-トリアザオクタシクロ[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]ノナコサ-8,10,12,14(28),15(19),20(27),21(26),22,24-ノナエン-4-イル]-N'-メチルブタンジアミド
  • N-{2-[3-(but-3-yn-1-yl)-3H-diazirin-3-yl]ethyl}-N'-[(2S,3R,4R,6R)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N'-methylbutanediamide
Other name (1)：
  • N-[2-[3-(3-Butynyl)-3H-diazirine-3-yl]ethyl]-4-[methyl[(2S,3R,4R,6R)-2,6-(5-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12,13-diyl)-3-methoxy-2-methyltetrahydro-2H-pyran-4-yl]amino]-4-oxobutanamide
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