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Substance Name: Alanine, N-(p-bromobenzenesulfonyl)-3-phenyl-, D-
RN: 40279-98-9
InChIKey: YYNNRJWNBXEQTP-CQSZACIVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-Br-N-O4-S

Molecular Weight

  • 384.249
 
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Names and Synonyms

Synonyms

  • D-N-(p-Bromobenzenesulfonyl)-3-phenylalanine
  • Propionic acid, 2-(p-bromobenzenesulfonamido)-3-phenyl-, D-

Systematic Name

  • Alanine, N-(p-bromobenzenesulfonyl)-3-phenyl-, D-

Registry Numbers

CAS Registry Number

  • 40279-98-9

System Generated Number

  • 0040279989

Structure Descriptors

InChI

1S/C15H14BrNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)/t14-/m1/s1

InChIKey

YYNNRJWNBXEQTP-CQSZACIVSA-N

Smiles

c1(S(N[C@H](Cc2ccccc2)C(O)=O)(=O)=O)ccc(Br)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1325, 1972.