5-((9-(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,18-bis(2-((sulfomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)carbamoyl)-8-(1-hydroxyethyl)-11-(6-methyloctanamido)-7,10-dioxo-2,6,9,14-tetraazapentadecane-1,15-disulfonic acid

Catalog No. :
ACEEUN123
CAS No. :
30387-39-4
Molecular Formula :
C57H108N16O25S4
Molecular Weight :
1545.85

IUPAC Name:5-((9-(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,18-bis(2-((sulfomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)carbamoyl)-8-(1-hydroxyethyl)-11-(6-methyloctanamido)-7,10-dioxo-2,6,9,14-tetraazapentadecane-1,15-disulfonic acid

5-((9-(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,18-bis(2-((sulfomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)carbamoyl)-8-(1-hydroxyethyl)-11-(6-methyloctanamido)-7,10-dioxo-2,6,9,14-tetraazapentadecane-1,15-disulfonic acid structure diagram
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Product Information

Product Name5-((9-(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,18-bis(2-((sulfomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)carbamoyl)-8-(1-hydroxyethyl)-11-(6-methyloctanamido)-7,10-dioxo-2,6,9,14-tetraazapentadecane-1,15-disulfonic acid
IUPAC Name5-((9-(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-6,18-bis(2-((sulfomethyl)amino)ethyl)-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)carbamoyl)-8-(1-hydroxyethyl)-11-(6-methyloctanamido)-7,10-dioxo-2,6,9,14-tetraazapentadecane-1,15-disulfonic acid
Molecular FormulaC57H108N16O25S4
Molecular Weight1545.85
SMILESCCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)O)C(=O)NC(C(=O)NC(CCNCS(=O)(=O)O)C(=O)NC1CCNC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS(=O)(=O)O)NC1=O)C(C)O
InChI KeyZXYYNNMHQSUIER-UHFFFAOYSA-N
SynonymColistin-1,3,5,9-tetramethanesulfonic A acid;Polymyxin E1, 1-[(2S)-2-[(6-methyl-1-oxooctyl)amino]-4-[(sulfomethyl)amino]butanoic acid]-3-[(2S)-2-amino-4-[(sulfomethyl)amino]butanoic acid]-5-[(2S)-2-amino-4-[(sulfomethyl)amino]butanoic acid]-9-[(2S)-2-amino-4-[(sulfomethyl)amino]butanoic acid]- (9CI)
CAS No.30387-39-4

Synthetic Route by SureRoute

1. ACEEUN123 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACEEUN123 route product structure diagram
    ACEEUN12330387-39-4
Inquiry

2. ACEEUN123 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACEEUN123 route product structure diagram
    ACEEUN12330387-39-4
Inquiry

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