N-(3-(((2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)propyl)-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamide

Catalog No. :
ACOCLO100
CAS No. :
870891-30-8
Molecular Formula :
C37H64N4O18S
Molecular Weight :
885.00

IUPAC Name:N-(3-(((2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)propyl)-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamide

N-(3-(((2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)propyl)-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamide structure diagram
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Product Information

Product NameN-(3-(((2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)propyl)-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamide
IUPAC NameN-(3-(((2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)propyl)-6-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanamide
Molecular FormulaC37H64N4O18S
Molecular Weight885.00
SMILESOC[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H]([C@H]([C@H](O[C@H]2OCCCNC(CCCCCNC(CCCC[C@H]3[C@]4([H])[C@](NC(N4)=O)([H])CS3)=O)=O)CO)O)[C@H]2O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O
InChI KeyRRHQYQQAOMVJLS-LLRKLLARSA-N
Synonym(3aS,4S,6aR)-N-[6-[[3-[(O-6-Deoxy-alpha-L-galactopyranosyl-(1-2)-O-[alpha-D-galactopyranosyl-(1-3)]-beta-D-galactopyranosyl)oxy]propyl]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide;Blood Group B trisaccharide, spacer-biotin conjugate;1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[6-[[3-[(O-6-deoxy-α-L-galactopyranosyl-(1→2)-O-[α-D-galactopyranosyl-(1→3)]-β-D-galactopyranosyl)oxy]propyl]amino]-6-oxohexyl]hexahydro-2-oxo-, (3aS,4S,6aR)-;(3aS,4S,6aR)-N-[6-[[3-[(O-6-Deoxy-α-L-galactopyranosyl-(1→2)-O-[α-D-galactopyranosyl-(1→3)]-β-D-galactopyranosyl)oxy]propyl]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
CAS No.870891-30-8

Synthetic Route by SureRoute

1. ACOCLO100 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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2. ACOCLO100 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
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  5. ACOCLO100 route product structure diagram
    ACOCLO100870891-30-8
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