(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38S,47S,50S,53S,56S,57R)-56-amino-20,23-bis(2-amino-2-oxoethyl)-14,29-bis(4-aminobutyl)-17,50,53-tribenzyl-5,8-bis(2-carboxyethyl)-26,35-bis(3-guanidinopropyl)-57-hydroxy-2,47-bis(4-hydroxybenzyl)-11-((R)-1-hydroxyethyl)-38-(hydroxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55-octadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaazaoctapentacontanoic acid

Catalog No. :
ACYHFA837
CAS No. :
906480-05-5
Molecular Formula :
C104H149N29O31
Molecular Weight :
2301.51

IUPAC Name:(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38S,47S,50S,53S,56S,57R)-56-amino-20,23-bis(2-amino-2-oxoethyl)-14,29-bis(4-aminobutyl)-17,50,53-tribenzyl-5,8-bis(2-carboxyethyl)-26,35-bis(3-guanidinopropyl)-57-hydroxy-2,47-bis(4-hydroxybenzyl)-11-((R)-1-hydroxyethyl)-38-(hydroxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55-octadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaazaoctapentacontanoic acid

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38S,47S,50S,53S,56S,57R)-56-amino-20,23-bis(2-amino-2-oxoethyl)-14,29-bis(4-aminobutyl)-17,50,53-tribenzyl-5,8-bis(2-carboxyethyl)-26,35-bis(3-guanidinopropyl)-57-hydroxy-2,47-bis(4-hydroxybenzyl)-11-((R)-1-hydroxyethyl)-38-(hydroxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55-octadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaazaoctapentacontanoic acid structure diagram
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Product Information

Product Name(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38S,47S,50S,53S,56S,57R)-56-amino-20,23-bis(2-amino-2-oxoethyl)-14,29-bis(4-aminobutyl)-17,50,53-tribenzyl-5,8-bis(2-carboxyethyl)-26,35-bis(3-guanidinopropyl)-57-hydroxy-2,47-bis(4-hydroxybenzyl)-11-((R)-1-hydroxyethyl)-38-(hydroxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55-octadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaazaoctapentacontanoic acid
IUPAC Name(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38S,47S,50S,53S,56S,57R)-56-amino-20,23-bis(2-amino-2-oxoethyl)-14,29-bis(4-aminobutyl)-17,50,53-tribenzyl-5,8-bis(2-carboxyethyl)-26,35-bis(3-guanidinopropyl)-57-hydroxy-2,47-bis(4-hydroxybenzyl)-11-((R)-1-hydroxyethyl)-38-(hydroxymethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55-octadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54-octadecaazaoctapentacontanoic acid
Molecular FormulaC104H149N29O31
Molecular Weight2301.51
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[C@@H](C)O
InChI KeyRCVVJXYDPKEONQ-JVFWYHQTSA-N
CAS No.906480-05-5

Synthetic Route by SureRoute

1. ACYHFA837 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYHFA837 route product structure diagram
    ACYHFA837906480-05-5
Inquiry

2. ACYHFA837 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYHFA837 route product structure diagram
    ACYHFA837906480-05-5
Inquiry

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