Name: BCN-PEG3-VC-PFP ester
Rating: 5 (10 reviews)

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HIT ID:HIT212667396
Cas No:2353409-45-5
常用名:BCN-PEG3-VC-PFP ester
IUPAC:2,3,4,5,6-pentafluorophenyl (2S)-2-[(2S)-2-{3-[2-(2-{2-[({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]ethoxy}ethoxy)ethoxy]propanamido}-3-methylbutanamido]-5-(carbamoylamino)pentanoate
IUPAC:2,3,4,5,6-pentafluorophenyl (2S)-2-[(2S)-2-{3-[2-(2-{2-[({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]ethoxy}ethoxy)ethoxy]propanamido}-3-methylbutanamido]-5-(carbamoylamino)pentanoate
InChI key:ODFSIYMVJDIAIS-ZQPQWVRXSA-N

分子式:C37H50F5N5O10
分子量:819.824
氢键供体数 (HBD):5
氢键受体数 (HBA):8
LogP:2.8812704
SMILES:[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
SMILES:[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

BCN-PEG3-VC-PFP ester is a three-unit PEG ADC linker that can be cleaved, and it is commonly employed in the synthesis of antibody-drug conjugates (ADCs) [1].

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