DBCO-Val-Cit-PABC-OH | AnyMole

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HIT212667623

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HIT212667623

HIT ID:HIT212667623
Cas No:
常用名:DBCO-Val-Cit-PABC-OH
IUPAC:6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-N-[(1R)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]-6-oxohexanamide
IUPAC:6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-N-[(1R)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]-6-oxohexanamide
InChI key:UKSUTABXRCDSHE-LBHUVFDKSA-N

分子式:C39H46N6O6
分子量:694.833
氢键供体数 (HBD):6
氢键受体数 (HBA):6
LogP:3.0515602
SMILES:CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1
SMILES:CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

DBCO-Val-Cit-PABC-OH is a cleavable linker employed in the synthesis of antibody-drug conjugates (ADCs) [1].

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1

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