Chem
J-GLOBAL ID：201607005136620328   Nikkaji number：J3.526.167B

N-[2-[[4-[5-[4-(Propargyloxy)phenyl]-2H-tetrazole-2-yl]phenoxy]acetylamino]ethyl]-2-[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]acetamide

N-[2-[[4-[5-[4-(プロパルギルオキシ)フェニル]-2H-テトラゾール-2-イル]フェノキシ]アセチルアミノ]エチル]-2-[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]アセトアミド
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： C50H46N10O7
Molecular formula furigana： C50-H46-N10-O7
Molecular weight： 898.981
InChI： InChI=1S/C50H46N10O7/c1-5-24-65-31-18-14-29(15-19-31)48-54-56-60(55-48)30-16-20-32(21-17-30)66-28-40(62)52-23-22-51-39(61)27-57(3)38-25-41-58-36-12-8-6-10-33(36)43-44-35(26-53-49(44)63)42-34-11-7-9-13-37(34)59(46(42)45(43)58)50(2,67-41)47(38)64-4/h1,6-21,38,41,47H,22-28H2,2-4H3,(H,51,61)(H,52,62)(H,53,63)/t38-,41-,47-,50+/m1/s1
InChI key： CEHAXFUXERELDM-BLBAHJKXSA-N
SMILES： CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CC(=O)NCCNC(=O)COc1ccc(cc1)n1nnc(n1)c1ccc(OCC#C)cc1
Systematic name  (3)：
  • N-[2-[[4-[5-[4-(プロパルギルオキシ)フェニル]-2H-テトラゾール-2-イル]フェノキシ]アセチルアミノ]エチル]-2-[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]アセトアミド
  • N-[2-(2-{[(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](メチル)アミノ}アセトアミド)エチル]-2-(4-{5-[4-(プロパ-2-イン-1-イルオキシ)フェニル]-2H-1,2,3,4-テトラゾール-2-イル}フェノキシ)アセトアミド
  • N-[2-(2-{[(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](methyl)amino}acetamido)ethyl]-2-(4-{5-[4-(prop-2-yn-1-yloxy)phenyl]-2H-1,2,3,4-tetrazol-2-yl}phenoxy)acetamide
Other name (1)：
  • N-[2-[[4-[5-[4-(Propargyloxy)phenyl]-2H-tetrazole-2-yl]phenoxy]acetylamino]ethyl]-2-[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]acetamide
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