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Substance Name: 4-(Glutathionyl)phenylalanine
RN: 109572-69-2
InChIKey: NZMYKNZXHXPNTF-IHRRRGAJSA-N

Note

  • Melphalan metabolite.

Molecular Formula

  • C19-H26-N4-O8-S

Molecular Weight

  • 470.5
 
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Names and Synonyms

Name of Substance

  • 4-(Glutathionyl)phenylalanine

Synonyms

  • 4-Gsh-phe
  • N-(S-(4-(2-Amino-2-carboxyethyl)phenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine

Systematic Name

  • Glycine, N-(S-(4-(2-amino-2-carboxyethyl)phenyl)-N-L-gamma-glutamyl-L-cysteinyl)-

Registry Numbers

CAS Registry Number

  • 109572-69-2

System Generated Number

  • 0109572692

Structure Descriptors

InChI

1S/C19H26N4O8S/c20-12(18(28)29)5-6-15(24)23-14(17(27)22-8-16(25)26)9-32-11-3-1-10(2-4-11)7-13(21)19(30)31/h1-4,12-14H,5-9,20-21H2,(H,22,27)(H,23,24)(H,25,26)(H,28,29)(H,30,31)/t12-,13-,14-/m0/s1

InChIKey

NZMYKNZXHXPNTF-IHRRRGAJSA-N

Smiles

c1cc(ccc1SC[C@@H](C(=O)NCC(O)=O)NC(CC[C@@H](C(O)=O)N)=O)C[C@@H](C(O)=O)N