Sulfo Cy5-tetrazine sodium
HIT219250805
sdf文件结构编辑类似物检索
HIT ID: HIT219250805
Cas No:
分子式: C53H56N7NaO10S3
分子量: 1070.24
常用名: Sulfo Cy5-tetrazine sodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 2-[(1E,3E)-5-[(2E)-1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl]-1,1-dimethyl-3-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-7-sulfo-1H-benzo[e]indol-3-ium
IUPAC: sodium 2-[(1E,3E)-5-[(2E)-1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl]-1,1-dimethyl-3-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-7-sulfo-1H-benzo[e]indol-3-ium
SMILES: [Na+].Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=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+].Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=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
InChI key: KDXMLLWKAKHPAK-UHFFFAOYSA-M
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