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Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

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-thr-trp
organooxygen compound > carboxamide > peptide > ile-thr-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-thr-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-thr-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-thr-trp

Preferred term

ile-thr-trp  

Type

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

Broader concept

charge

  • 0

formula

  • C21H30N4O5

inchi

  • InChI=1S/C21H30N4O5/c1-4-11(2)17(22)19(27)25-18(12(3)26)20(28)24-16(21(29)30)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23,26H,4,9,22H2,1-3H3,(H,24,28)(H,25,27)(H,29,30)/t11-,12+,16-,17-,18-/m0/s1

inchikey

  • KWHFUMYCSPJCFQ-NGTWOADLSA-N

mass

  • 418.494

monoisotopicmass

  • 418.22162

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158803

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