Sulfo Cy5.5-maleimide
HIT219250985
sdf文件结构编辑类似物检索
HIT ID: HIT219250985
Cas No:
分子式: C49H52N4Na2O12S3
分子量: 1031.13
常用名: Sulfo Cy5.5-maleimide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: disodium 2-[(1E,3E)-5-[(2Z)-1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl]-3-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-7-sulfonate
IUPAC: disodium 2-[(1E,3E)-5-[(2Z)-1,1-dimethyl-7-sulfonato-3-(4-sulfonatobutyl)-1H,2H,3H-benzo[e]indol-2-ylidene]penta-1,3-dien-1-yl]-3-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium-7-sulfonate
SMILES: [Na+].[Na+].CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc4cc(ccc4c3C2(C)C)S([O-])(=O)=O)N(CCCCS([O-])(=O)=O)c2ccc3cc(ccc3c12)S([O-])(=O)=O
SMILES: [Na+].[Na+].CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc4cc(ccc4c3C2(C)C)S([O-])(=O)=O)N(CCCCS([O-])(=O)=O)c2ccc3cc(ccc3c12)S([O-])(=O)=O
InChI key: DALREKQLMNXSBJ-UHFFFAOYSA-L
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