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

Preferred term

ile-his-tyr  

Type

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

Broader concept

charge

  • 0

formula

  • C21H29N5O5

inchi

  • InChI=1S/C21H29N5O5/c1-3-12(2)18(22)20(29)25-16(9-14-10-23-11-24-14)19(28)26-17(21(30)31)8-13-4-6-15(27)7-5-13/h4-7,10-12,16-18,27H,3,8-9,22H2,1-2H3,(H,23,24)(H,25,29)(H,26,28)(H,30,31)/t12-,16-,17-,18-/m0/s1

inchikey

  • VNDQNDYEPSXHLU-JUKXBJQTSA-N

mass

  • 431.493

monoisotopicmass

  • 431.21687

smiles

  • O=C(N[C@@H](CC=1NC=NC1)C(=O)N[C@@H](CC2=CC=C(O)C=C2)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-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158486

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