Name: 4-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}carbamoyl)ethyl]-2,2-difluoro-12-(1H-pyrrol-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
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sdf 文件

结构编辑

类似物检索

HIT ID:HIT221058945
Cas No:
常用名:4-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}carbamoyl)ethyl]-2,2-difluoro-12-(1H-pyrrol-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
常用名:4-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}carbamoyl)ethyl]-2,2-difluoro-12-(1H-pyrrol-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:4-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}carbamoyl)ethyl]-2,2-difluoro-12-(1H-pyrrol-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC:4-[2-({4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutyl}carbamoyl)ethyl]-2,2-difluoro-12-(1H-pyrrol-2-yl)-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
InChI key:InChIKey=NHNLAUGBMPCGBT-UHFFFAOYSA-N

分子式:C24H24BF2N5O5
分子量:511.29
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:F[B-]1(F)n2c(CCC(=O)NCCCC(=O)ON3C(=O)CCC3=O)ccc2C=C2C=CC(c3ccc[nH]3)=[N+]12
SMILES:F[B-]1(F)n2c(CCC(=O)NCCCC(=O)ON3C(=O)CCC3=O)ccc2C=C2C=CC(c3ccc[nH]3)=[N+]12

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