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

Preferred term

ile-trp-his  

Type

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

Broader concept

charge

  • 0

formula

  • C23H30N6O4

inchi

  • InChI=1S/C23H30N6O4/c1-3-13(2)20(24)22(31)28-18(8-14-10-26-17-7-5-4-6-16(14)17)21(30)29-19(23(32)33)9-15-11-25-12-27-15/h4-7,10-13,18-20,26H,3,8-9,24H2,1-2H3,(H,25,27)(H,28,31)(H,29,30)(H,32,33)/t13-,18-,19-,20-/m0/s1

inchikey

  • WJBOZUVRPOIQNN-KJYZGMDISA-N

mass

  • 454.531

monoisotopicmass

  • 454.23285

smiles

  • O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC=3NC=NC3)C(O)=O)[C@@H](N)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158825

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