IRDye 800CW, DBCO
HIT219251307
sdf文件结构编辑类似物检索
HIT ID: HIT219251307
Cas No: 1373928-39-2
分子式: C64H65N4Na3O15S4
分子量: 1327.45
常用名: IRDye 800CW, DBCO
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: trisodium 2-(2-{3-[2-(1-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene)ethylidene]-2-(4-sulfonatophenoxy)cyclohex-1-en-1-yl}ethenyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate
IUPAC: trisodium 2-(2-{3-[2-(1-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene)ethylidene]-2-(4-sulfonatophenoxy)cyclohex-1-en-1-yl}ethenyl)-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indol-1-ium-5-sulfonate
SMILES: [Na+].[Na+].[Na+].CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCC(=O)N2Cc3ccccc3C#Cc3ccccc23)c2ccc(cc12)S([O-])(=O)=O
SMILES: [Na+].[Na+].[Na+].CC1(C)C(=CC=C2CCCC(C=CC3=[N+](CCCCS([O-])(=O)=O)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc2ccc(cc2)S([O-])(=O)=O)N(CCCCCC(=O)NCCC(=O)N2Cc3ccccc3C#Cc3ccccc23)c2ccc(cc12)S([O-])(=O)=O
InChI key: PLZNLSRDJOEMNQ-UHFFFAOYSA-K
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