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Chemistry, part 1

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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 > amino-acid derivative > isoleucine derivative > coronafacoyl-l-isoleucine

Preferred term

coronafacoyl-l-isoleucine  

Type

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

Broader concept

charge

  • 0

formula

  • C18H27NO4

inchi

  • InChI=1S/C18H27NO4/c1-4-10(3)16(18(22)23)19-17(21)14-9-11(5-2)8-13-12(14)6-7-15(13)20/h9-13,16H,4-8H2,1-3H3,(H,19,21)(H,22,23)/t10?,11-,12+,13+,16+/m1/s1

inchikey

  • RKSQYDBORLFRPF-VXEUTMNQSA-N

mass

  • 321.417

monoisotopicmass

  • 321.19401

smiles

  • O=C1[C@@H]2[C@@H](C(C(=O)N[C@H](C(=O)O)C(CC)C)=C[C@@H](C2)CC)CC1

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carbonyl]amino]-3-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221713

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