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Substance Name: N-(1-Carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate
RN: 91237-20-6
InChIKey: PENOWLRGYBCUSJ-KEKNWZKVSA-M

Molecular Formula

  • C25-H23-N2-O6

Molecular Weight

  • 447.465
 
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Names and Synonyms

Name of Substance

  • N-(1-Carboxy-2-phenylethyl)phenylalanine-4-aminobenzoate

Synonyms

  • N-(1-(R,S)-Carboxy-2-phenylethyl)-phe-p-AB
  • N-Cppab

Systematic Name

  • DL-Phenylalanine, N-(2-((4-carboxyphenyl)amino)-2-oxo-1-(phenylmethyl)ethyl)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 91237-20-6

System Generated Number

  • 0091237206

Structure Descriptors

InChI

1S/C25H24N2O6/c28-23(29)19-8-4-5-9-20(19)26-18-12-10-17(11-13-18)15-22(25(32)33)27-21(24(30)31)14-16-6-2-1-3-7-16/h1-13,21-22,26-27H,14-15H2,(H,28,29)(H,30,31)(H,32,33)/p-1/t21?,22-/m0/s1

InChIKey

PENOWLRGYBCUSJ-KEKNWZKVSA-M

Smiles

C(c1c(cccc1)Nc1ccc(C[C@H](N[C@@H](Cc2ccccc2)C(=O)O)C(=O)O)cc1)(=O)[O-]