Trisulfo-Cy3 Methyltetrazine
HIT218887550
sdf文件结构编辑类似物检索
HIT ID: HIT218887550
Cas No: 1676067-48-3
分子式: C42H49N7O10S3
分子量: 908.07
常用名: Trisulfo-Cy3 Methyltetrazine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(3-{3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-5-sulfo-2,3-dihydro-1H-indol-2-ylidene}prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
IUPAC: 2-(3-{3,3-dimethyl-1-[5-({[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl}carbamoyl)pentyl]-5-sulfo-2,3-dihydro-1H-indol-2-ylidene}prop-1-en-1-yl)-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
SMILES: Cc1nnc(nn1)-c1ccc(CNC(=O)CCCCCN2C(=CC=CC3=[N+](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)CCCCCN2C(=CC=CC3=[N+](CCCS(O)(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)C(C)(C)c3cc(ccc23)S(O)(=O)=O)cc1
InChI key: OZCFOARLJNJDKW-UHFFFAOYSA-N
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