HIT ID: HIT218698052

Cas No: 146368-14-1

分子式: C37H43N3O10S2

分子量: 753.88

常用名: 2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethylindol-1-ium-5-sulfonate, CY5-SE, CY5-NHS酯

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-[5-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-1-ethyl-3,3-dimethyl-3H-indol-1-ium-5-sulfonate

SMILES: CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O

InChI key: WXWLHDCCGVWTDZ-UHFFFAOYSA-N