Name: JUN01107
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219158878
Cas No:2762752-63-4
常用名:JUN01107
别名:BP-25560, BP Fluor 546 DBCO, APDye 546 DBCO
别名:BP-25560, BP Fluor 546 DBCO, APDye 546 DBCO
IUPAC:6-[3-({[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]methyl}sulfanyl)-6-carboxy-2,4,5-trichlorophenyl]-2,2,4,8,10,10-hexamethyl-14-sulfo-1,2,3,4,8,9,10,11-octahydro-13lambda4-oxa-1,11-diazapentacen-13-ylium-12-sulfonate
IUPAC:6-[3-({[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]methyl}sulfanyl)-6-carboxy-2,4,5-trichlorophenyl]-2,2,4,8,10,10-hexamethyl-14-sulfo-1,2,3,4,8,9,10,11-octahydro-13lambda4-oxa-1,11-diazapentacen-13-ylium-12-sulfonate
InChI key:ISXKFJCVPWMHEH-UHFFFAOYSA-N

分子式:C52H47Cl3N4O11S3
分子量:1106.5
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1CC(C)(C)Nc2c1cc1c(-c3c(Cl)c(SCC(=O)NCCC(=O)N4Cc5ccccc5C#Cc5ccccc45)c(Cl)c(Cl)c3C(O)=O)c3cc4C(C)CC(C)(C)Nc4c(c3[o+]c1c2S(O)(=O)=O)S([O-])(=O)=O
SMILES:CC1CC(C)(C)Nc2c1cc1c(-c3c(Cl)c(SCC(=O)NCCC(=O)N4Cc5ccccc5C#Cc5ccccc45)c(Cl)c(Cl)c3C(O)=O)c3cc4C(C)CC(C)(C)Nc4c(c3[o+]c1c2S(O)(=O)=O)S([O-])(=O)=O

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