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

Preferred term

asn-asp-asn  

Type

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

Broader concept

charge

  • 0

formula

  • C12H19N5O8

inchi

  • InChI=1S/C12H19N5O8/c13-4(1-7(14)18)10(22)16-5(3-9(20)21)11(23)17-6(12(24)25)2-8(15)19/h4-6H,1-3,13H2,(H2,14,18)(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t4-,5-,6-/m0/s1

inchikey

  • PIWWUBYJNONVTJ-ZLUOBGJFSA-N

mass

  • 361.311

monoisotopicmass

  • 361.12336

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S)-4-amino-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:159599

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