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N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-Amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate

Catalog No. :
ACJHOK257
CAS No. :
625092-10-6
Molecular Formula :
C84H112ClN17O16
Molecular Weight :
1651.38

IUPAC Name:N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate

N-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-Amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate structure diagram
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Product NameN-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-Amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate
IUPAC NameN-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate
Molecular FormulaC84H112ClN17O16
Molecular Weight1651.38
SMILESCC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H](CC1=CC=C(Cl)C=C1)C(=O)N[C@H](CC1=CN=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCNC(=O)C1=CN=CC=C1)C(=O)N[C@H](CCCCNC(=O)C1=CN=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O
InChI KeyRHBDDEILKDGLGU-OHURHHEJSA-N
SynonymN-((4R,7R,10R,13S,16S,19R)-19-(((S)-1-(((S)-1-((S)-2-(((R)-1-Amino-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-6-(isopropylamino)-1-oxohexan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)-7-(4-chlorobenzyl)-13-(hydroxymethyl)-4-(naphthalen-2-ylmethyl)-16-(4-(nicotinamido)butyl)-2,5,8,11,14,17-hexaoxo-10-(pyridin-3-ylmethyl)-3,6,9,12,15,18-hexaazatricosan-23-yl)nicotinamide acetate
CAS No.625092-10-6
PubChem CID145707467

Synthetic Route by SureRoute

1. ACJHOK257 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACJHOK257 route product structure diagram
    ACJHOK257625092-10-6
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2. ACJHOK257 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACJHOK257 route product structure diagram
    ACJHOK257625092-10-6
Inquiry

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