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Substance Name: L-Tryptophan, N-((4E)-5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester
RN: 159086-07-4
InChIKey: JPSPCEOQBVPJFV-IBDYFIJFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O4

Molecular Weight

  • 366.4148
 
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Names and Synonyms

Synonyms

  • L-Tryptophan, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester, (E)-
  • N-((4E)-5-(2-Furanyl)-3-oxo-4-pentenyl)-L-tryptophan methyl ester

Systematic Name

  • L-Tryptophan, N-((4E)-5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 159086-07-4

System Generated Number

  • 0159086074

Structure Descriptors

InChI

1S/C21H22N2O4/c1-26-21(25)20(13-15-14-23-19-7-3-2-6-18(15)19)22-11-10-16(24)8-9-17-5-4-12-27-17/h2-9,12,14,20,22-23H,10-11,13H2,1H3/b9-8+/t20-/m0/s1

InChIKey

JPSPCEOQBVPJFV-IBDYFIJFSA-N

Smiles

COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NCCC(=O)/C=C/c3ccco3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1250mg/kg (1250mg/kg)   Doklady Akademii Nauk SSSR. Proceedings of the Academy of Sciences of the USSR. For English translation, see DBIOAM and DKBSAS. Vol. 335, Pg. 388, 1994.