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CHEBI:83846 - (S)-pefurazoate

ChEBI IDCHEBI:83846
ChEBI Name(S)-pefurazoate
Stars
ASCII Name(S)-pefurazoate
DefinitionA pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate that is the (S)-enantiomer of pefurazoate.
Last Modified21 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H23N3O4
Net Charge0
Average Mass345.399
Monoisotopic Mass345.16886
SMILESC=CCCCOC(=O)[C@H](CC)N(Cc1ccco1)C(=O)n1ccnc1
InChIInChI=1S/C18H23N3O4/c1-3-5-6-11-25-17(22)16(4-2)21(13-15-8-7-12-24-15)18(23)20-10-9-19-14-20/h3,7-10,12,14,16H,1,4-6,11,13H2,2H3/t16-/m0/s1
InChIKeyWBTYBAGIHOISOQ-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-pefurazoate (CHEBI:83846) is a pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate (CHEBI:83845)
(S)-pefurazoate (CHEBI:83846) is enantiomer of (R)-pefurazoate (CHEBI:83847)
Incoming Relation(s)
pefurazoate (CHEBI:81775) has part (S)-pefurazoate (CHEBI:83846)
(R)-pefurazoate (CHEBI:83847) is enantiomer of (S)-pefurazoate (CHEBI:83846)
IUPAC Name 
pent-4-en-1-yl (2S)-2-[(2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino]butanoate