TCO-PEG1-Val-Cit-PABC-OH | AnyMole

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HIT212668383

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HIT212668383

HIT ID:HIT212668383
Cas No:
常用名:TCO-PEG1-Val-Cit-PABC-OH
IUPAC:(3E)-cyclooct-3-en-1-yl N-[2-(2-{[(1R)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}ethoxy)ethyl]carbamate
IUPAC:(3E)-cyclooct-3-en-1-yl N-[2-(2-{[(1R)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]carbamoyl}ethoxy)ethyl]carbamate
InChI key:CEPCTCNNPFHLKM-CULOIWPMSA-N

分子式:C32H50N6O8
分子量:646.786
氢键供体数 (HBD):7
氢键受体数 (HBA):7
LogP:1.1974267
SMILES:CC(C)[C@@H](NC(=O)CCOCCNC(=O)OC1CCCC\C=C\C1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 |t:21|
SMILES:CC(C)[C@@H](NC(=O)CCOCCNC(=O)OC1CCCC\C=C\C1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 |t:21|

TCO-PEG1-Val-Cit-PABC-OH, a cleavable 1-unit PEG ADC linker, is employed in the synthesis of antibody-drug conjugates (ADCs)[1].

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