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Substance Name: (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine
RN: 52046-79-4
InChIKey: XJRPGCBTEMRPMB-UHFFFAOYSA-N

Note

  • Oncogenic product of reaction between tryptophan & acetoxyxanthine; mixture of diastereoisomers.

Molecular Weight

  • 354.325
 
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Names and Synonyms

Name of Substance

  • (3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine

Systematic Name

  • 3H-Indole-3-propanoic acid, alpha-amino-3-(2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)-

Registry Numbers

CAS Registry Number

  • 52046-79-4

System Generated Number

  • 0052046794

Structure Descriptors

InChI

1S/C16H14N6O4/c17-9(5-7-6-18-10-4-2-1-3-8(7)10)14(24)26-16-19-11-12(21-16)20-15(25)22-13(11)23/h1-4,6-7,9H,5,17H2,(H3,19,20,21,22,23,25)

InChIKey

XJRPGCBTEMRPMB-UHFFFAOYSA-N

Smiles

N1=C[C@@H](c2ccccc12)C[C@@H](C(=O)Oc1[nH]c2c([nH]c([nH]c2n1)=O)=O)N