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Substance Name: beta-(Theobromine-8)-alpha-alanine
RN: 10154-08-2
InChIKey: FOTLFXOEEPODAN-UHFFFAOYSA-N

Molecular Formula

  • C10-H13-N5-O4

Molecular Weight

  • 267.244
 
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Names and Synonyms

Results Name

  • beta-(Theobromine-8)-alpha-alanine

Synonyms

  • alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid
  • beta-(Theobromine-8)-alpha-alanine

Systematic Name

  • Purine-8-propionic acid, alpha-amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxo-

Registry Numbers

CAS Registry Number

  • 10154-08-2

System Generated Number

  • 0010154082

Structure Descriptors

InChI

1S/C10H13N5O4/c1-14-5(3-4(11)9(17)18)12-7-6(14)8(16)13-10(19)15(7)2/h4H,3,11H2,1-2H3,(H,17,18)(H,13,16,19)

InChIKey

FOTLFXOEEPODAN-UHFFFAOYSA-N

Smiles

n1(c(nc2n(c([nH]c(c12)=O)=O)C)C[C@@H](C(=O)O)N)C