Name: Sulfo-Cy5-TCO
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217585048
Cas No:2129525-69-3
常用名:Sulfo-Cy5-TCO
别名:磺基-Cy5-TCO
IUPAC:2-[5-(1-{5-[(3-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}propyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium
IUPAC:2-[5-(1-{5-[(3-{[(cyclooct-4-en-1-yloxy)carbonyl]amino}propyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium
InChI key:NOAVEHFDKWMOKQ-UHFFFAOYSA-N

分子式:C46H62N4O12S3
分子量:959.2
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)NCCCNC(=O)OC2CCCC=CCC2)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)NCCCNC(=O)OC2CCCC=CCC2)c2ccc(cc12)S(O)(=O)=O

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