Name: AF555 NHS ester TEA salt
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219476041
Cas No:
常用名:AF555 NHS ester TEA salt
IUPAC:2-{3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl}-3-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3-methyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium; tris(triethylamine)
IUPAC:2-{3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro-1H-indol-2-ylidene]prop-1-en-1-yl}-3-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3-methyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium; tris(triethylamine)
InChI key:LRAXITXWWBSXQH-UHFFFAOYSA-N

分子式:C56H92N6O16S4
分子量:1233.62
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CC1(C)C(=CC=CC2=[N+](CCCS([O-])(=O)=O)c3ccc(cc3C2(C)CCCCCC(=O)ON2C(=O)CCC2=O)S(O)(=O)=O)N(CCCS(O)(=O)=O)c2ccc(cc12)S(O)(=O)=O
SMILES:CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.CC1(C)C(=CC=CC2=[N+](CCCS([O-])(=O)=O)c3ccc(cc3C2(C)CCCCCC(=O)ON2C(=O)CCC2=O)S(O)(=O)=O)N(CCCS(O)(=O)=O)c2ccc(cc12)S(O)(=O)=O

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