Name: Cy5.5 DBCO
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218832712
Cas No:
常用名:Cy5.5 DBCO
别名:Cy55 DBCO, Cy5.5DBCO, Cy5.5 DBCO, 1857352-95-4
别名:Cy55 DBCO, Cy5.5DBCO, Cy5.5 DBCO, 1857352-95-4
IUPAC:2-[5-(3-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-1,1-dimethyl-6,8-disulfo-1H,2H,3H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
IUPAC:2-[5-(3-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-1,1-dimethyl-6,8-disulfo-1H,2H,3H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl]-3-ethyl-1,1-dimethyl-8-sulfo-1H-benzo[e]indol-3-ium-6-sulfonate
InChI key:VTRGNBPOXZSARU-UHFFFAOYSA-N

分子式:C59H58N4O14S4
分子量:1175.37
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S([O-])(=O)=O
SMILES:CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)c3ccc4c(cc(cc4c3C2(C)C)S(O)(=O)=O)S(O)(=O)=O)C(C)(C)c2c1ccc1c(cc(cc21)S(O)(=O)=O)S([O-])(=O)=O

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