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Substance Name: L-Isoleucine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, butyl ester, (E)-
RN: 159086-01-8
InChIKey: NMMZCNNGHFNFLP-REZMZDAPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H29-N-O4

Molecular Weight

  • 335.4411
 
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Names and Synonyms

Synonym

  • (E)-N-(5-(2-Furanyl)-3-oxo-4-pentenyl)-L-isoleucine butyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 159086-01-8

System Generated Number

  • 0159086018

Structure Descriptors

InChI

1S/C19H29NO4/c1-4-6-13-24-19(22)18(15(3)5-2)20-12-11-16(21)9-10-17-8-7-14-23-17/h7-10,14-15,18,20H,4-6,11-13H2,1-3H3/b10-9+/t15-,18-/m0/s1

InChIKey

NMMZCNNGHFNFLP-REZMZDAPSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2188mg/kg (2188mg/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.