Name: Tri-GalNAc-DBCO
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HIT ID:HIT218801730
Cas No:
Common Name:Tri-GalNAc-DBCO
IUPAC:6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[1-(2-{[3-(5-{[(2R,3R,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyoxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)-3-(2-{[4-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)butyl]carbamoyl}ethoxy)-2-[(2-{[3-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)methyl]propan-2-yl]-6-oxohexanamide
IUPAC:6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-[1-(2-{[3-(5-{[(2R,3R,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyoxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)-3-(2-{[4-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)butyl]carbamoyl}ethoxy)-2-[(2-{[3-(5-{[(3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanamido)propyl]carbamoyl}ethoxy)methyl]propan-2-yl]-6-oxohexanamide
InChI key:ISYZBZJCCWCLTN-KLAVVYJXSA-N

Molecular Formula:C82H127N11O29
Molecular Weight:1730.966
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12
SMILES:CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)O[C@H]1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCOC1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12

Tri-GalNAc-DBCO is a PIP-GalNAc coupling compound that binds ASGPR to drive protein down-regulation and target compounds for protein degradation via copper-free strain-promoted azide-alkyne cycloaddition coupled to azide on a non-specifically labeled antibody.

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