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CS-W001157 4
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(S)-2,2'-((5-(((Benzyloxy)carbonyl)amino)-1-carboxypentyl)azanediyl)diacetic acid

  • CAS No. 113231-04-2

  • Cat. No. CS-0149836
  • Purity≥97%
  • MDL No.MFCD27977806

*For research and further manufacturing use only, not for direct human use.

(S)-2,2'-((5-(((Benzyloxy)carbonyl)amino)-1-carboxypentyl)azanediyl)diacetic acid|CS-0149836

Structure of 113231-04-2

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General Information

  • CAS No. 113231-04-2
  • Cat. No. CS-0149836
  • Purity ≥97%
  • MDL No. MFCD27977806
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₂₄N₂O₈
  • Molecular Weight 396.39
  • Synonym(s) (2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
  • SMILES O=C(O)[C@@H](N(CC(O)=O)CC(O)=O)CCCCNC(OCC1=CC=CC=C1)=O

Synthesis

  • Route1
    • In-stock
      H-Lys(Z)-OH|CS-W007750
      1155-64-2
    • null|null
      79-08-3
    • ~99%
    • In-stock
      (S)-2,2'-((5-(((Benzyloxy)carbonyl)amino)-1-carboxypentyl)azanediyl)diacetic acid|CS-0149836
      113231-04-2

    References

    • Ogier, Julien; Arnauld, Thomas; Carrot, Geraldine; Lhumeau, Antoine; Delbos, Jean-Marie; Boursier, Claire; Loreau, Olivier; Lefoulon, Francois; Doris, Eric Organic and Biomolecular Chemistry, 2010 , vol. 8, # 17 p. 3902 - 3907
  • Route2
    • null|null
      501-53-1
    • In-stock
      Nα,Nα-Bis(carboxymethyl)-L-lysine|CS-0018032
      113231-05-3
    • ~79%
    • In-stock
      (S)-2,2'-((5-(((Benzyloxy)carbonyl)amino)-1-carboxypentyl)azanediyl)diacetic acid|CS-0149836
      113231-04-2

    References

    • ATOMIC ENERGY COUNCIL - INSTITUTE OF NUCLEAR ENERGY RESEARCH; LIN, CHIH-YUAN; CHANG, YU; WANG, JEN-TSUNG; HSU, CHENG-FANG; KUO, WEI-TI; YU, HUNG-WEN; LIN, WUU-JYH; WANG, MEI-HUI Patent: US2014/46045 A1, 2014 ; Location in patent: Paragraph 0071 - 0074 ;
  • Route3
    • null|null
      79-08-3
    • null|null
      25528-43-2
    • ~%
    • In-stock
      (S)-2,2'-((5-(((Benzyloxy)carbonyl)amino)-1-carboxypentyl)azanediyl)diacetic acid|CS-0149836
      113231-04-2

    References

    • Roy, Bidhan C.; Mallik, Sanku Journal of Organic Chemistry, 1999 , vol. 64, # 8 p. 2969 - 2974

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   153.47
  • LogP   1.0075
  • H_Acceptors   6
  • H_Donors   4
  • Rotatable_Bonds   13

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