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N-(2-(2-(2-(2-((2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamido)methyl)thiazol-4-yl)-2-oxoacetyl)thiazol-4-yl)-2-oxoethyl)-2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamide

Catalog No. :
ACUXPN640
CAS No. :
2828423-98-7
Molecular Formula :
C37H38N8O7S2
Molecular Weight :
770.89

IUPAC Name:N-(2-(2-(2-(2-((2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamido)methyl)thiazol-4-yl)-2-oxoacetyl)thiazol-4-yl)-2-oxoethyl)-2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamide

N-(2-(2-(2-(2-((2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamido)methyl)thiazol-4-yl)-2-oxoacetyl)thiazol-4-yl)-2-oxoethyl)-2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamide structure diagram
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Product Information

Product NameN-(2-(2-(2-(2-((2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamido)methyl)thiazol-4-yl)-2-oxoacetyl)thiazol-4-yl)-2-oxoethyl)-2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamide
IUPAC NameN-(2-(2-(2-(2-((2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamido)methyl)thiazol-4-yl)-2-oxoacetyl)thiazol-4-yl)-2-oxoethyl)-2-(6-((S)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxo-4-azaspiro[2.4]hept-6-en-7-yl)acetamide
Molecular FormulaC37H38N8O7S2
Molecular Weight770.89
SMILESO=C(C1=CSC(C(C(C2=CSC(CNC(CC(C3(N4)CC3)=C(C5=N[C@@H](C)CC5)C4=O)=O)=N2)=O)=O)=N1)CNC(CC(C6(N7)CC6)=C(C8=N[C@@H](C)CC8)C7=O)=O
InChI KeyZWKHDAZPVITMAI-ROUUACIJSA-N
SynonymColibactin
CAS No.2828423-98-7

Synthetic Route by SureRoute

1. ACUXPN640 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACUXPN640 route product structure diagram
    ACUXPN6402828423-98-7
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2. ACUXPN640 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACUXPN640 route product structure diagram
    ACUXPN6402828423-98-7
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