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

Preferred term

val-ile-met  

Type

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

Broader concept

charge

  • 0

formula

  • C16H31N3O4S

inchi

  • InChI=1S/C16H31N3O4S/c1-6-10(4)13(19-14(20)12(17)9(2)3)15(21)18-11(16(22)23)7-8-24-5/h9-13H,6-8,17H2,1-5H3,(H,18,21)(H,19,20)(H,22,23)/t10-,11-,12-,13-/m0/s1

inchikey

  • PYXQBKJPHNCTNW-CYDGBPFRSA-N

mass

  • 361.500

monoisotopicmass

  • 361.20353

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulanylbutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166245

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