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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboximidic acid > (1z,3r)-n-[(5s)-6-(acetyloxy)-5-/{(e)-[(3r)-1-hydroxy-3-isocyanobutylidene]amino/}hexyl]-3-isocyanobutanimidic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > imidic acid > carboximidic acid > (1z,3r)-n-[(5s)-6-(acetyloxy)-5-/{(e)-[(3r)-1-hydroxy-3-isocyanobutylidene]amino/}hexyl]-3-isocyanobutanimidic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > imidic acid > carboximidic acid > (1z,3r)-n-[(5s)-6-(acetyloxy)-5-/{(e)-[(3r)-1-hydroxy-3-isocyanobutylidene]amino/}hexyl]-3-isocyanobutanimidic acid

Preferred term

(1z,3r)-n-[(5s)-6-(acetyloxy)-5-/{(e)-[(3r)-1-hydroxy-3-isocyanobutylidene]amino/}hexyl]-3-isocyanobutanimidic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H28N4O4

inchi

  • InChI=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

inchikey

  • OYJQSXMYJZDGLC-FMKPAKJESA-N

mass

  • 364.440

monoisotopicmass

  • 364.21106

smiles

  • C[C@@](C/C(=N/CCCC[C@](COC(C)=O)([H])/N=C(/C[C@](C)([H])[N+]#[C-])/O)/O)([H])[N+]#[C-]

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137417

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