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CHEBI:137417 - (1Z,3R)-N-[(5S)-6-(acetyloxy)-5-{(E)-[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexyl]-3-isocyanobutanimidic acid

ChEBI IDCHEBI:137417
ChEBI Name(1Z,3R)-N-[(5S)-6-(acetyloxy)-5-{(E)-[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexyl]-3-isocyanobutanimidic acid
Stars
Last Modified21 January 2019
SubmitterKeeva
DownloadsMolfile
FormulaC18H28N4O4
Net Charge0
Average Mass364.446
Monoisotopic Mass364.21106
SMILES[H][C@](CCCC/N=C(\O)C[C@@]([H])(C)[N+]#[C-])(COC(C)=O)/N=C(\O)C[C@@]([H])(C)[N+]#[C-]
InChIInChI=1S/C18H28N4O4/c1-13(19-4)10-17(24)21-9-7-6-8-16(12-26-15(3)23)22-18(25)11-14(2)20-5/h13-14,16H,6-12H2,1-3H3,(H,21,24)(H,22,25)/t13-,14-,16+/m1/s1
InChIKeyOYJQSXMYJZDGLC-FMKPAKJESA-N
ChEBI Ontology
Outgoing Relation(s)
(1Z,3R)-N-[(5S)-6-(acetyloxy)-5-{(E)-[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexyl]-3-isocyanobutanimidic acid (CHEBI:137417) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
(1Z,3R)-N-[(5S)-6-(acetyloxy)-5-{(E)-[(3R)-1-hydroxy-3-isocyanobutylidene]amino}hexyl]-3-isocyanobutanimidic acid