Sulfo-Cy5-Methyltetrazine
HIT217585049
sdf文件结构编辑类似物检索
HIT ID: HIT217585049
Cas No: 1801924-46-8
分子式: C44H51N7O10S3
分子量: 934.11
常用名: Sulfo-Cy5-Methyltetrazine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-3H-indol-1-ium-5-sulfonate
IUPAC: 2-{5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-3H-indol-1-ium-5-sulfonate
SMILES: Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=C(C=CC=CC=C3N(CCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)cc1
SMILES: Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCC[N+]2=C(C=CC=CC=C3N(CCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)cc1
InChI key: ZXNMMOJPJIHIMB-UHFFFAOYSA-N
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