Name: Trisulfo-Cy5-Alkyne
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217585044
Cas No:2055138-90-2
常用名:Trisulfo-Cy5-Alkyne
IUPAC:2-[5-(3,3-dimethyl-1-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
IUPAC:2-[5-(3,3-dimethyl-1-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
InChI key:DKRNQQAUDARDNM-UHFFFAOYSA-N

分子式:C37H45N3O10S3
分子量:787.96
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1(C)C(=CC=CC=CC2=[N+](CCCS(O)(=O)=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCCC(=O)NCC#C)c2ccc(cc12)S(O)(=O)=O
SMILES:CC1(C)C(=CC=CC=CC2=[N+](CCCS(O)(=O)=O)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCCC(=O)NCC#C)c2ccc(cc12)S(O)(=O)=O

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