skip to main content

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

Preferred term

ile-trp-asn  

Type

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

Broader concept

charge

  • 0

formula

  • C21H29N5O5

inchi

  • InChI=1S/C21H29N5O5/c1-3-11(2)18(23)20(29)25-15(19(28)26-16(21(30)31)9-17(22)27)8-12-10-24-14-7-5-4-6-13(12)14/h4-7,10-11,15-16,18,24H,3,8-9,23H2,1-2H3,(H2,22,27)(H,25,29)(H,26,28)(H,30,31)/t11-,15-,16-,18-/m0/s1

inchikey

  • BZUOLKFQVVBTJY-SLBDDTMCSA-N

mass

  • 431.493

monoisotopicmass

  • 431.21687

smiles

  • O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC(=O)N)C(O)=O)[C@@H](N)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158813

Download this concept:

RDF/XML TURTLE JSON-LD