Sulfo-Cy5-Mal potassium
HIT218666566
sdf文件结构编辑类似物检索
HIT ID: HIT218666566
Cas No: 2242791-82-6
分子式: C38H43KN4O9S2
分子量: 803
常用名: Sulfo-Cy5-Mal potassium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: potassium 2-[(1E,3E)-5-[(2E)-1-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
IUPAC: potassium 2-[(1E,3E)-5-[(2E)-1-(5-{[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]carbamoyl}pentyl)-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-1,3,3-trimethyl-3H-indol-1-ium-5-sulfonate
SMILES: [K+].C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
SMILES: [K+].C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCN3C(=O)C=CC3=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
InChI key: KKALABHIZQXGRJ-UHFFFAOYSA-M
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