Name: Bis-Mal-Lysine-PEG4-TFP ester
Rating: 5 (10 reviews)

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HIT ID:HIT212668709
Cas No:1426164-53-5
常用名:Bis-Mal-Lysine-PEG4-TFP ester
IUPAC:2,3,5,6-tetrafluorophenyl 1-[(2S)-2,6-bis[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]hexanamido]-3,6,9,12-tetraoxapentadecan-15-oate
IUPAC:2,3,5,6-tetrafluorophenyl 1-[(2S)-2,6-bis[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]hexanamido]-3,6,9,12-tetraoxapentadecan-15-oate
InChI key:QODWSCJQLAMMBN-SANMLTNESA-N

分子式:C37H45F4N5O13
分子量:843.783
氢键供体数 (HBD):3
氢键受体数 (HBA):12
LogP:-0.7022013
SMILES:Fc1cc(F)c(F)c(OC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](CCCCNC(=O)CCN2C(=O)C=CC2=O)NC(=O)CCN2C(=O)C=CC2=O)c1F |c:41,54|
SMILES:Fc1cc(F)c(F)c(OC(=O)CCOCCOCCOCCOCCNC(=O)[C@H](CCCCNC(=O)CCN2C(=O)C=CC2=O)NC(=O)CCN2C(=O)C=CC2=O)c1F |c:41,54|

Bis-Mal-Lysine-PEG4-TFP ester, a PEG-based PROTAC linker, facilitates PROTAC synthesis[1].

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