Name: Sulfo ICG-tetrazine
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219250873
Cas No:
常用名:Sulfo ICG-tetrazine
IUPAC:disodium 2-[(1E,3E,5E)-7-[(2E)-1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-1H-benzo[e]indol-3-ium-7-sulfonate
IUPAC:disodium 2-[(1E,3E,5E)-7-[(2E)-1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1,1-dimethyl-3-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-1H-benzo[e]indol-3-ium-7-sulfonate
InChI key:RMAVIVDLLFWEME-UHFFFAOYSA-L

分子式:C55H57N7Na2O10S3
分子量:1118.26
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C\C=C3\N(CCCCS([O-])(=O)=O)c4ccc5cc(ccc5c4C3(C)C)S([O-])(=O)=O)C(C)(C)c3c2ccc2cc(ccc32)S([O-])(=O)=O)cc1
SMILES:[Na+].[Na+].Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C\C=C3\N(CCCCS([O-])(=O)=O)c4ccc5cc(ccc5c4C3(C)C)S([O-])(=O)=O)C(C)(C)c3c2ccc2cc(ccc32)S([O-])(=O)=O)cc1

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