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(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]ethyl]-1-pyrrolidinedodecanamide

Catalog No. :
ACQKID630
CAS No. :
1159408-72-6
Molecular Formula :
C117H175N11O42
Molecular Weight :
2407.72

IUPAC Name:(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]ethyl]-1-pyrrolidinedodecanamide

(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]ethyl]-1-pyrrolidinedodecanamide structure diagram
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Product Name(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]ethyl]-1-pyrrolidinedodecanamide
IUPAC Name(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]ethyl]-1-pyrrolidinedodecanamide
Molecular FormulaC117H175N11O42
Molecular Weight2407.72
SMILESC(OC[C@H]1N(C(CCCCCCCCCCC(NC(COCCC(NCCCNC(CCCCO[C@H]2[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)=O)=O)(COCCC(NCCCNC(CCCCO[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O3)=O)=O)COCCC(NCCCNC(CCCCO[C@H]4[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O4)=O)=O)=O)=O)C[C@H](O)C1)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI KeyGGDUVQWHSIEKKC-LJNDWZPRSA-N
Synonym1-Pyrrolidinedodecanamide, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2...;1-Pyrrolidinedodecanamide, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5..;1-Pyrrolidinedodecanamide, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]ethyl]-, (2S,4R)-;1-Pyrrolidinedodecanamide, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-...;(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-N-[2-[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]-1,1-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]ethyl]-1-pyrrolidinedodecanamide;GalNac-L96 analog;[(3R,4R,5S,6R)-3,4-bis(acetyloxy)-6-(4-[(3-(3-(2-(12-[(2S,4R)-2-[(bis(4-methoxyphenyl)(phenyl)methoxy)methyl]-4-hydroxypyrrolidin-1-yl]-12-oxododecanamido)-3-(2-[(3-(5-{[(2R,3S,4R,5R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}pentanamido)propyl)carbamoyl]ethoxy)-2-[(2-[(3-(5-{[(2R,3S,4R,5R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}pentanamido)propyl)carbamoyl]ethoxy)methyl]propoxy)propanamido)propyl)carbamoyl]butoxy)-5-acetamidooxepan-2-yl]met;GalNac-L96 analong
CAS No.1159408-72-6

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P280-P301+P312-P302+P352-P305+P351+P338

Synthetic Route by SureRoute

1. ACQKID630 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACFWJE452 route compound structure diagram
    ACFWJE4521426159-34-3 In Stock
  2. Plus
  3. ACDOJS168 route compound structure diagram
    ACDOJS168151953-64-9 In Stock
  4. Then
  5. ACQKID630 route product structure diagram
    ACQKID6301159408-72-6
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2. ACQKID630 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACMEYV352 route compound structure diagram
    ACMEYV3521159408-54-4 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACQKID630 route product structure diagram
    ACQKID6301159408-72-6
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