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

Preferred term

phe-tyr-thr  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27N3O6

inchi

  • InChI=1S/C22H27N3O6/c1-13(26)19(22(30)31)25-21(29)18(12-15-7-9-16(27)10-8-15)24-20(28)17(23)11-14-5-3-2-4-6-14/h2-10,13,17-19,26-27H,11-12,23H2,1H3,(H,24,28)(H,25,29)(H,30,31)/t13-,17+,18+,19+/m1/s1

inchikey

  • MHNBYYFXWDUGBW-RPTUDFQQSA-N

mass

  • 429.473

monoisotopicmass

  • 429.18999

smiles

  • O=C(N[C@@H]([C@H](O)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CC=C(O)C=C2

subset

  • 2_STAR

synonym EXACT

  • (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:161974

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