2,3-Dithia-6,9,12-triazatetradecan-14-oic acid, 9,12-bis(carboxymethyl)-7-oxo-, 2,2-dioxide

Catalog No. :
ACWBRQ518
CAS No. :
832733-28-5
Molecular Formula :
C13H23N3O9S2
Molecular Weight :
429.47

IUPAC Name:2,2'-((2-((carboxymethyl)(2-((2-((methylsulfonyl)thio)ethyl)amino)-2-oxoethyl)amino)ethyl)azanediyl)diacetic acid

2,3-Dithia-6,9,12-triazatetradecan-14-oic acid, 9,12-bis(carboxymethyl)-7-oxo-, 2,2-dioxide structure diagram
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Product Information

Product Name2,3-Dithia-6,9,12-triazatetradecan-14-oic acid, 9,12-bis(carboxymethyl)-7-oxo-, 2,2-dioxide
IUPAC Name2,2'-((2-((carboxymethyl)(2-((2-((methylsulfonyl)thio)ethyl)amino)-2-oxoethyl)amino)ethyl)azanediyl)diacetic acid
Molecular FormulaC13H23N3O9S2
Molecular Weight429.47
SMILESCS(SCCNC(CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O)=O)(=O)=O
InChI KeyJWPLHLAKENJGRB-UHFFFAOYSA-N
Synonym[S-Methanethiosulfonylcysteaminyl]ethylenediamine-N,N,N',N'-Tetraacetic Acid (4:1 mixture of mono-MTS to bis-MTS);9,12-Bis(carboxyMethyl)-7-oxo-;[S-Methanethiosulfonylcysteaminyl]ethylenediamine-N,N,N’,N’-Tetraacetic Acid (mixture of mono-MTS and bis-MTS) (~90%);2,3-Dithia-6,9,12-triazatetradecan-14-oic acid, 9,12-bis(carboxymethyl)-7-oxo-, 2,2-dioxide (9CI)
CAS No.832733-28-5

Synthetic Route by SureRoute

1. ACWBRQ518 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWBRQ518 route product structure diagram
    ACWBRQ518832733-28-5
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2. ACWBRQ518 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWBRQ518 route product structure diagram
    ACWBRQ518832733-28-5
Inquiry

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