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Substance Name: L-Isoleucine, N-((4E)-5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester
RN: 136789-12-3
InChIKey: SKWTWRKXLNPDDI-AVDDZBROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O4

Molecular Weight

  • 293.3607
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 136789-12-3

System Generated Number

  • 0136789123

Structure Descriptors

InChI

1S/C16H23NO4/c1-4-12(2)15(16(19)20-3)17-10-9-13(18)7-8-14-6-5-11-21-14/h5-8,11-12,15,17H,4,9-10H2,1-3H3/b8-7+/t12-,15-/m0/s1

InChIKey

SKWTWRKXLNPDDI-AVDDZBROSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)OC)NCCC(=O)/C=C/c1ccco1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/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.