Chem
J-GLOBAL ID：201607015538781951   Nikkaji number：J3.526.170B

N-[2-[4-[4-[5-[6-(Dimethylamino)-2-naphthyl]-2H-tetrazole-2-yl]phenoxy]butyrylamino]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-[4-[5-[6-(ジメチルアミノ)-2-ナフチル]-2H-テトラゾール-2-イル]フェノキシ]ブチリルアミノ]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： C55H55N11O6
Molecular formula furigana： C55-H55-N11-O6
Molecular weight： 966.116
InChI： InChI=1S/C55H55N11O6/c1-55-52(70-5)43(29-46(72-55)64-41-13-8-6-11-38(41)48-49-40(30-58-54(49)69)47-39-12-7-9-14-42(39)65(55)51(47)50(48)64)63(4)31-45(68)57-25-24-56-44(67)15-10-26-71-37-22-20-35(21-23-37)66-60-53(59-61-66)34-17-16-33-28-36(62(2)3)19-18-32(33)27-34/h6-9,11-14,16-23,27-28,43,46,52H,10,15,24-26,29-31H2,1-5H3,(H,56,67)(H,57,68)(H,58,69)/t43-,46-,52-,55+/m1/s1
InChI key： DVHYTBUJGOGKAP-CRAHXOKESA-N
SMILES： CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CC(=O)NCCNC(=O)CCCOc1ccc(cc1)n1nnc(n1)c1ccc2cc(ccc2c1)N(C)C
Systematic name  (3)：
  • N-[2-[4-[4-[5-[6-(ジメチルアミノ)-2-ナフチル]-2H-テトラゾール-2-イル]フェノキシ]ブチリルアミノ]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
  • 4-(4-{5-[6-(ジメチルアミノ)ナフタレン-2-イル]-2H-1,2,3,4-テトラゾール-2-イル}フェノキシ)-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]ブタンアミド
  • 4-(4-{5-[6-(dimethylamino)naphthalen-2-yl]-2H-1,2,3,4-tetrazol-2-yl}phenoxy)-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]butanamide
Other name (1)：
  • N-[2-[4-[4-[5-[6-(Dimethylamino)-2-naphthyl]-2H-tetrazole-2-yl]phenoxy]butyrylamino]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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