Chem
J-GLOBAL ID：200907065994465303   Nikkaji number：J1.934.700A

6-[[2-[5-[1-[6-(Succinimidyloxy)-6-oxohexyl]-3,3-dimethyl-5-sulfonato-1H-indole-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfonato-3H-indole-1-ium]-1-yl]hexanoic acid succinimidyl ester

6-[[2-[5-[1-[6-(スクシンイミジルオキシ)-6-オキソヘキシル]-3,3-ジメチル-5-スルホナト-1H-インドール-2(3H)-イリデン]-1,3-ペンタジエニル]-3,3-ジメチル-5-スルホナト-3H-インドール-1-イウム]-1-イル]ヘキサン酸スクシンイミジル
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： C45H51N3[N+]O12[O-]2S2
Molecular formula furigana： C45-H51-N4-O14-S2
Molecular weight： 936.040
InChI： InChI=1S/C45H52N4O14S2/c1-44(2)32-28-30(64(56,57)58)18-20-34(32)46(26-12-6-10-16-42(54)62-48-38(50)22-23-39(48)51)36(44)14-8-5-9-15-37-45(3,4)33-29-31(65(59,60)61)19-21-35(33)47(37)27-13-7-11-17-43(55)63-49-40(52)24-25-41(49)53/h5,8-9,14-15,18-21,28-29H,6-7,10-13,16-17,22-27H2,1-4H3,(H-,56,57,58,59,60,61)/p-1
InChI key： MGIODCZGPVDROX-UHFFFAOYSA-M
SMILES： CC1(C)C(=CC=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S(=O)(=O)[O-])N(CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc12)S(=O)(=O)[O-]
Systematic name  (3)：
  • 6-[[2-[5-[1-[6-(スクシンイミジルオキシ)-6-オキソヘキシル]-3,3-ジメチル-5-スルホナト-1H-インドール-2(3H)-イリデン]-1,3-ペンタジエニル]-3,3-ジメチル-5-スルホナト-3H-インドール-1-イウム]-1-イル]ヘキサン酸スクシンイミジル
  • 1-{6-[(2,5-ジオキソピロリジン-1-イル)オキシ]-6-オキソヘキシル}-2-[5-(1-{6-[(2,5-ジオキソピロリジン-1-イル)オキシ]-6-オキソヘキシル}-3,3-ジメチル-5-スルホナト-2,3-ジヒドロ-1H-インドール-2-イリデン)ペンタ-1,3-ジエン-1-イル]-3,3-ジメチル-3H-インドール-1-イウム-5-スルホナート
  • 1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
Other name (1)：
  • 6-[[2-[5-[1-[6-(Succinimidyloxy)-6-oxohexyl]-3,3-dimethyl-5-sulfonato-1H-indole-2(3H)-ylidene]-1,3-pentadienyl]-3,3-dimethyl-5-sulfonato-3H-indole-1-ium]-1-yl]hexanoic acid succinimidyl ester
CAS registry number： 146368-15-2
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