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

Preferred term

ala-ile-tyr  

Type

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

Broader concept

charge

  • 0

formula

  • C18H27N3O5

inchi

  • InChI=1S/C18H27N3O5/c1-4-10(2)15(21-16(23)11(3)19)17(24)20-14(18(25)26)9-12-5-7-13(22)8-6-12/h5-8,10-11,14-15,22H,4,9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/t10-,11-,14-,15-/m0/s1

inchikey

  • QQACQIHVWCVBBR-GVARAGBVSA-N

mass

  • 365.430

monoisotopicmass

  • 365.19507

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158279

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