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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 > ala-asp-asn
organooxygen compound > carboxamide > peptide > ala-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 > ala-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 > ala-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 > ala-asp-asn

Preferred term

ala-asp-asn  

Type

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

Broader concept

charge

  • 0

formula

  • C11H18N4O7

inchi

  • InChI=1S/C11H18N4O7/c1-4(12)9(19)14-5(3-8(17)18)10(20)15-6(11(21)22)2-7(13)16/h4-6H,2-3,12H2,1H3,(H2,13,16)(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1

inchikey

  • GSCLWXDNIMNIJE-ZLUOBGJFSA-N

mass

  • 318.286

monoisotopicmass

  • 318.11755

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158024

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