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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 > carboxamide > peptide > ile-asp-trp
organooxygen compound > carboxamide > peptide > ile-asp-trp
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > ile-asp-trp
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > ile-asp-trp
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > ile-asp-trp

Preferred term

ile-asp-trp  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28N4O6

inchi

  • InChI=1S/C21H28N4O6/c1-3-11(2)18(22)20(29)24-15(9-17(26)27)19(28)25-16(21(30)31)8-12-10-23-14-7-5-4-6-13(12)14/h4-7,10-11,15-16,18,23H,3,8-9,22H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t11-,15-,16-,18-/m0/s1

inchikey

  • REJKOQYVFDEZHA-SLBDDTMCSA-N

mass

  • 432.477

monoisotopicmass

  • 432.20088

smiles

  • O=C(N[C@H](C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)CC(O)=O)[C@@H](N)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158282

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