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

Preferred term

ile-thr-his  

Type

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

Broader concept

charge

  • 0

formula

  • C16H27N5O5

inchi

  • InChI=1S/C16H27N5O5/c1-4-8(2)12(17)14(23)21-13(9(3)22)15(24)20-11(16(25)26)5-10-6-18-7-19-10/h6-9,11-13,22H,4-5,17H2,1-3H3,(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t8-,9+,11-,12-,13-/m0/s1

inchikey

  • GMUYXHHJAGQHGB-TUBUOCAGSA-N

mass

  • 369.422

monoisotopicmass

  • 369.20122

smiles

  • O[C@@H]([C@H](NC(=O)[C@@H](N)[C@H](CC)C)C(=O)N[C@@H](CC=1NC=NC1)C(O)=O)C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158784

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