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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 > met-asp-tyr
organooxygen compound > carboxamide > peptide > met-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 > met-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 > met-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 > met-asp-tyr

Preferred term

met-asp-tyr  

Type

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

Broader concept

charge

  • 0

formula

  • C18H25N3O7S

inchi

  • InChI=1S/C18H25N3O7S/c1-29-7-6-12(19)16(25)20-13(9-15(23)24)17(26)21-14(18(27)28)8-10-2-4-11(22)5-3-10/h2-5,12-14,22H,6-9,19H2,1H3,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1

inchikey

  • PNDCUTDWYVKBHX-IHRRRGAJSA-N

mass

  • 427.470

monoisotopicmass

  • 427.14132

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:160602

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