Name: (5,6)TAMRA-PEG3-Azide-PEG3-Desthiobiotin
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HIT ID:HIT212667261
Cas No:
常用名:(5,6)TAMRA-PEG3-Azide-PEG3-Desthiobiotin
常用名:(5,6)TAMRA-PEG3-Azide-PEG3-Desthiobiotin
IUPAC:4-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)({2-[(2-{2-[2-(2-{6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethyl})carbamoyl]ethyl}carbamoyl)-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate 5-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)({2-[(2-{2-[2-(2-{6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethyl})carbamoyl]ethyl}carbamoyl)-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate
IUPAC:4-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)({2-[(2-{2-[2-(2-{6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethyl})carbamoyl]ethyl}carbamoyl)-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate 5-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)({2-[(2-{2-[2-(2-{6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethyl})carbamoyl]ethyl}carbamoyl)-2-[6-(dimethylamino)-3-(dimethyliminiumyl)-3H-xanthen-9-yl]benzoate
InChI key:XCDYPCCUECTTNP-VRDNYPGUSA-N

分子式:C114H162N22O28
分子量:2288.676
氢键供体数 (HBD):5
氢键受体数 (HBA):17
LogP:-5.4768376
SMILES:[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]=[N+]=[#7-])-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(c(c1)-[#6](-[#8-])=O)-c1c2ccc(cc2oc2c\c(ccc12)=[#7+](\[#6])-[#6])-[#7](-[#6])-[#6].[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]=[N+]=[#7-])-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(-[#6](-[#8-])=O)c(c1)-c1c2ccc(cc2oc2c\c(ccc12)=[#7+](\[#6])-[#6])-[#7](-[#6])-[#6]
SMILES:[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]=[N+]=[#7-])-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(c(c1)-[#6](-[#8-])=O)-c1c2ccc(cc2oc2c\c(ccc12)=[#7+](\[#6])-[#6])-[#7](-[#6])-[#6].[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]=[N+]=[#7-])-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(-[#6](-[#8-])=O)c(c1)-c1c2ccc(cc2oc2c\c(ccc12)=[#7+](\[#6])-[#6])-[#7](-[#6])-[#6]

(5,6)TAMRA-PEG3-Azide-PEG3-Desthiobiotin is a polyethylene glycol (PEG)-based PROTAC linker utilized for the synthesis of PROTACs.

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