(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S)-35-((1H-indol-3-yl)methyl)-44-((S)-2-((S)-4-amino-2-((S)-2-amino-3-phenylpropanamido)-4-oxobutanamido)-3-(1H-indol-3-yl)propanamido)-17,32-bis(4-aminobutyl)-14,26-bis(2-carboxyethyl)-5-(carboxymethyl)-23-(3-guanidinopropyl)-8,41-bis(4-hydroxybenzyl)-29,38-bis(hydroxymethyl)-2,20-diisobutyl-11-methyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazahexatetracontanedioic acid

Catalog No. :
ACECCY545
CAS No. :
2135542-86-6
Molecular Formula :
C110H152N26O32
Molecular Weight :
2350.58

IUPAC Name:(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S)-35-((1H-indol-3-yl)methyl)-44-((S)-2-((S)-4-amino-2-((S)-2-amino-3-phenylpropanamido)-4-oxobutanamido)-3-(1H-indol-3-yl)propanamido)-17,32-bis(4-aminobutyl)-14,26-bis(2-carboxyethyl)-5-(carboxymethyl)-23-(3-guanidinopropyl)-8,41-bis(4-hydroxybenzyl)-29,38-bis(hydroxymethyl)-2,20-diisobutyl-11-methyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazahexatetracontanedioic acid

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S)-35-((1H-indol-3-yl)methyl)-44-((S)-2-((S)-4-amino-2-((S)-2-amino-3-phenylpropanamido)-4-oxobutanamido)-3-(1H-indol-3-yl)propanamido)-17,32-bis(4-aminobutyl)-14,26-bis(2-carboxyethyl)-5-(carboxymethyl)-23-(3-guanidinopropyl)-8,41-bis(4-hydroxybenzyl)-29,38-bis(hydroxymethyl)-2,20-diisobutyl-11-methyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazahexatetracontanedioic acid structure diagram
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Product Information

Product Name(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S)-35-((1H-indol-3-yl)methyl)-44-((S)-2-((S)-4-amino-2-((S)-2-amino-3-phenylpropanamido)-4-oxobutanamido)-3-(1H-indol-3-yl)propanamido)-17,32-bis(4-aminobutyl)-14,26-bis(2-carboxyethyl)-5-(carboxymethyl)-23-(3-guanidinopropyl)-8,41-bis(4-hydroxybenzyl)-29,38-bis(hydroxymethyl)-2,20-diisobutyl-11-methyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazahexatetracontanedioic acid
IUPAC Name(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S)-35-((1H-indol-3-yl)methyl)-44-((S)-2-((S)-4-amino-2-((S)-2-amino-3-phenylpropanamido)-4-oxobutanamido)-3-(1H-indol-3-yl)propanamido)-17,32-bis(4-aminobutyl)-14,26-bis(2-carboxyethyl)-5-(carboxymethyl)-23-(3-guanidinopropyl)-8,41-bis(4-hydroxybenzyl)-29,38-bis(hydroxymethyl)-2,20-diisobutyl-11-methyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazahexatetracontanedioic acid
Molecular FormulaC110H152N26O32
Molecular Weight2350.58
SMILESCC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)O
InChI KeyLNCFHYCUYCFVFP-GNCJSEQZSA-N
SynonymL-Leucine, L-phenylalanyl-L-asparaginyl-L-tryptophyl-L-α-aspartyl-L-tyrosyl-L-seryl-L-tryptophyl-L-lysyl-L-seryl-L-α-glutamyl-L-arginyl-L-leucyl-L-lysyl-L-α-glutamyl-L-alanyl-L-tyrosyl-L-α-aspartyl-
CAS No.2135542-86-6

Synthetic Route by SureRoute

1. ACECCY545 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACECCY545 route product structure diagram
    ACECCY5452135542-86-6
Inquiry

2. ACECCY545 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACECCY545 route product structure diagram
    ACECCY5452135542-86-6
Inquiry

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