tri-GalNAc-COOH

Catalog NumberBL-M001373
CAS Number1953146-81-0
Descriptiontri-GalNAc-COOH is a functionalized asialoglycoprotein receptor ligand for lysosomal targeting chimera (LYTAC) research and development.
IUPAC Name3-[2-[2-[2-[2-[3-[[1,3-bis[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
SynonymsSGN-46810; SGN 46810; SGN46810; N-[3-[[5-[[2-(Acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-1-oxopentyl]amino]propyl]-6,6-bis[[3-[[3-[[5-[[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-1-oxopentyl]amino]propyl]amino]-3-oxopropoxy]methyl]-25-hydroxy-8-oxo-4,11,14,17,20,23-hexaoxa-7-azapentacosanamide
Molecular Weight1735.91
Molecular FormulaC75H134N10O35
Canonical SMILESCC(=O)NC1C(C(C(OC1OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCOC2C(C(C(C(O2)CO)O)O)NC(=O)C)(COCCC(=O)NCCCNC(=O)CCCCOC3C(C(C(C(O3)CO)O)O)NC(=O)C)NC(=O)CCOCCOCCOCCOCCOCCC(=O)O)CO)O)O
InChIInChI=1S/C75H134N10O35/c1-49(89)82-63-69(104)66(101)52(43-86)118-72(63)115-27-7-4-13-55(92)76-21-10-24-79-58(95)16-31-112-46-75(85-61(98)19-30-107-35-37-109-39-41-111-42-40-110-38-36-108-34-20-62(99)100,47-113-32-17-59(96)80-25-11-22-77-56(93)14-5-8-28-116-73-64(83-50(2)90)70(105)67(102)53(44-87)119-73)48-114-33-18-60(97)81-26-12-23-78-57(94)15-6-9-29-117-74-65(84-51(3)91)71(106)68(103)54(45-88)120-74/h52-54,63-74,86-88,101-106H,4-48H2,1-3H3,(H,76,92)(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,89)(H,83,90)(H,84,91)(H,85,98)(H,99,100)/t52-,53-,54-,63-,64-,65-,66+,67+,68+,69-,70-,71-,72-,73-,74-/m1/s1
InChI KeySPYOMGAJOYWUJU-JNYSMVCCSA-N

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