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

Preferred term

gln-asp-tyr  

Type

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

Broader concept

charge

  • 0

formula

  • C18H24N4O8

inchi

  • InChI=1S/C18H24N4O8/c19-11(5-6-14(20)24)16(27)21-12(8-15(25)26)17(28)22-13(18(29)30)7-9-1-3-10(23)4-2-9/h1-4,11-13,23H,5-8,19H2,(H2,20,24)(H,21,27)(H,22,28)(H,25,26)(H,29,30)/t11-,12-,13-/m0/s1

inchikey

  • OFPWCBGRYAOLMU-AVGNSLFASA-N

mass

  • 424.410

monoisotopicmass

  • 424.15941

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S)-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:162017

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