Name: 1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-(3-{1-[5-({2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl)formamido]ethyl}carbamoyl)pentyl]-3,3-dimethyl-5-sulfoindol-2-ylidene}prop-1-en-1-yl)-3,3-dimethylindol-1-ium-5-sulfonate
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HIT ID:HIT221058946
Cas No:
常用名:1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-(3-{1-[5-({2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl)formamido]ethyl}carbamoyl)pentyl]-3,3-dimethyl-5-sulfoindol-2-ylidene}prop-1-en-1-yl)-3,3-dimethylindol-1-ium-5-sulfonate
常用名:1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-(3-{1-[5-({2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl)formamido]ethyl}carbamoyl)pentyl]-3,3-dimethyl-5-sulfoindol-2-ylidene}prop-1-en-1-yl)-3,3-dimethylindol-1-ium-5-sulfonate
IUPAC:1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-(3-{1-[5-({2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)formamido]ethyl}carbamoyl)pentyl]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene}prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
IUPAC:1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-(3-{1-[5-({2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)formamido]ethyl}carbamoyl)pentyl]-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene}prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
InChI key:InChIKey=JPKASDJIULUMHJ-UHFFFAOYSA-N

分子式:C55H69N5O14S2
分子量:1088.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNC(=O)CCCCCN1C(=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O
SMILES:Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCNC(=O)CCCCCN1C(=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O

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