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Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

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

Preferred term

asp-asn-thr  

Type

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

Broader concept

charge

  • 0

formula

  • C12H20N4O8

inchi

  • InChI=1S/C12H20N4O8/c1-4(17)9(12(23)24)16-11(22)6(3-7(14)18)15-10(21)5(13)2-8(19)20/h4-6,9,17H,2-3,13H2,1H3,(H2,14,18)(H,15,21)(H,16,22)(H,19,20)(H,23,24)/t4-,5+,6+,9+/m1/s1

inchikey

  • XACXDSRQIXRMNS-OLHMAJIHSA-N

mass

  • 348.312

monoisotopicmass

  • 348.12811

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (3S)-3-amino-4-[[(2S)-4-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:160389

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