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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 > ile-trp-glu
organooxygen compound > carboxamide > peptide > ile-trp-glu
... > 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-glu
... > 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-glu
... > 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-glu

Preferred term

ile-trp-glu  

Type

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

Broader concept

charge

  • 0

formula

  • C22H30N4O6

inchi

  • InChI=1S/C22H30N4O6/c1-3-12(2)19(23)21(30)26-17(10-13-11-24-15-7-5-4-6-14(13)15)20(29)25-16(22(31)32)8-9-18(27)28/h4-7,11-12,16-17,19,24H,3,8-10,23H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t12-,16-,17-,19-/m0/s1

inchikey

  • RWHRUZORDWZESH-ZQINRCPSSA-N

mass

  • 446.504

monoisotopicmass

  • 446.21653

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158821

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