Name: 12-[2-({15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}carbamoyl)ethyl]-2,2-difluoro-4-(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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HIT ID:HIT221058942
Cas No:
常用名:12-[2-({15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}carbamoyl)ethyl]-2,2-difluoro-4-(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:12-[2-({15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}carbamoyl)ethyl]-2,2-difluoro-4-(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:12-[2-({15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}carbamoyl)ethyl]-2,2-difluoro-4-(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:12-[2-({15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}carbamoyl)ethyl]-2,2-difluoro-4-(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=MAJQSBKMHHPLSO-UHFFFAOYSA-N

分子式:C31H38BF2N5O9
分子量:673.48
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:F[B-]1(F)n2c(ccc2-c2ccc[nH]2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)=[N+]12
SMILES:F[B-]1(F)n2c(ccc2-c2ccc[nH]2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)=[N+]12

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