(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,59S)-59-amino-38-(3-amino-3-oxopropyl)-26,47,50-tris(4-aminobutyl)-14-((S)-sec-butyl)-11-(2-carboxyethyl)-5-(carboxymethyl)-29,32,35,41,44,53-hexakis(3-guanidinopropyl)-17,20-bis(hydroxymethyl)-60-(4-hydroxyphenyl)-23-isobutyl-2,8-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58-nonadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaazahexacontanoic acid

Catalog No. :
ACSHGB643
CAS No. :
847829-41-8
Molecular Formula :
C103H184N42O29
Molecular Weight :
2474.87

IUPAC Name:(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,59S)-59-amino-38-(3-amino-3-oxopropyl)-26,47,50-tris(4-aminobutyl)-14-((S)-sec-butyl)-11-(2-carboxyethyl)-5-(carboxymethyl)-29,32,35,41,44,53-hexakis(3-guanidinopropyl)-17,20-bis(hydroxymethyl)-60-(4-hydroxyphenyl)-23-isobutyl-2,8-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58-nonadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaazahexacontanoic acid

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,59S)-59-amino-38-(3-amino-3-oxopropyl)-26,47,50-tris(4-aminobutyl)-14-((S)-sec-butyl)-11-(2-carboxyethyl)-5-(carboxymethyl)-29,32,35,41,44,53-hexakis(3-guanidinopropyl)-17,20-bis(hydroxymethyl)-60-(4-hydroxyphenyl)-23-isobutyl-2,8-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58-nonadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaazahexacontanoic 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,47S,50S,53S,59S)-59-amino-38-(3-amino-3-oxopropyl)-26,47,50-tris(4-aminobutyl)-14-((S)-sec-butyl)-11-(2-carboxyethyl)-5-(carboxymethyl)-29,32,35,41,44,53-hexakis(3-guanidinopropyl)-17,20-bis(hydroxymethyl)-60-(4-hydroxyphenyl)-23-isobutyl-2,8-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58-nonadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaazahexacontanoic acid
IUPAC Name(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,59S)-59-amino-38-(3-amino-3-oxopropyl)-26,47,50-tris(4-aminobutyl)-14-((S)-sec-butyl)-11-(2-carboxyethyl)-5-(carboxymethyl)-29,32,35,41,44,53-hexakis(3-guanidinopropyl)-17,20-bis(hydroxymethyl)-60-(4-hydroxyphenyl)-23-isobutyl-2,8-dimethyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58-nonadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaazahexacontanoic acid
Molecular FormulaC103H184N42O29
Molecular Weight2474.87
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O
InChI KeyJGOHJQLBRJDBTQ-RVYJUWCMSA-N
SynonymTat-NR2Baa;L-Alanine, L-tyrosylglycyl-L-arginyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L-glutaminyl-L-arginyl-L-arginyl-L-arginyl-L-lysyl-L-leucyl-L-seryl-L-seryl-L-isoleucyl-L-α-glutamyl-L-alanyl-L-α-aspartyl-
CAS No.847829-41-8

Synthetic Route by SureRoute

1. ACSHGB643 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACSHGB643 route product structure diagram
    ACSHGB643847829-41-8
Inquiry

2. ACSHGB643 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACSHGB643 route product structure diagram
    ACSHGB643847829-41-8
Inquiry

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