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CS-W001157 4
Total: USD 88.00

(2R)-3-{[(tert-Butoxy)carbonyl]amino}-2-(1H-indol-3-ylmethyl)propanoic acid

  • CAS No. 1050443-69-0

  • Cat. No. CS-0053487
  • Molecule weight318.37
  • Purity≥98%
  • MDL No.None

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

(2R)-3-{[(tert-Butoxy)carbonyl]amino}-2-(1H-indol-3-ylmethyl)propanoic acid|CS-0053487

Structure of 1050443-69-0

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General Information

  • CAS No. 1050443-69-0
  • Cat. No. CS-0053487
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₂N₂O₄
  • Molecular Weight 318.37
  • Synonym(s) (S)-2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(1H-INDOL-3-YL)-PROPIONIC ACID
  • SMILES CC(C)(C)OC(=O)NC[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O

Synthesis

  • Route1
    • null|null
      1050443-68-9
    • ~83%
    • (2R)-3-{[(tert-Butoxy)carbonyl]amino}-2-(1H-indol-3-ylmethyl)propanoic acid|CS-0053487
      1050443-69-0

    References

    • Moumne, Roba; Larregola, Maud; Boutadla, Youcef; Lavielle, Solange; Karoyan, Philippe Tetrahedron Letters, 2008 , vol. 49, # 32 p. 4704 - 4707
  • Route2
    • 3-(1-Benzyl-1H-indol-3-yl)propanoic acid|CS-0337366
      141071-79-6
    • ~%
    • (2R)-3-{[(tert-Butoxy)carbonyl]amino}-2-(1H-indol-3-ylmethyl)propanoic acid|CS-0053487
      1050443-69-0

    References

    • Asgatay, Saaidia; Champion, Christine; Marloie, Gael; Drujon, Thierry; Senamaud-Beaufort, Catherine; Ceccaldi, Alexandre; Erdmann, Alexandre; Rajavelu, Arumugam; Schambel, Philippe; Jeltsch, Albert; Lequin, Olivier; Karoyan, Philippe; Arimondo, Paola B.; Guianvarc'H, Dominique Journal of Medicinal Chemistry, 2014 , vol. 57, # 2 p. 421 - 434
  • Route3

    References

    • Asgatay, Saaidia; Champion, Christine; Marloie, Gael; Drujon, Thierry; Senamaud-Beaufort, Catherine; Ceccaldi, Alexandre; Erdmann, Alexandre; Rajavelu, Arumugam; Schambel, Philippe; Jeltsch, Albert; Lequin, Olivier; Karoyan, Philippe; Arimondo, Paola B.; Guianvarc'H, Dominique Journal of Medicinal Chemistry, 2014 , vol. 57, # 2 p. 421 - 434

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   91.42
  • LogP   2.9359
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   5

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