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

Preferred term

cys-his-gln  

Type

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

Broader concept

charge

  • 0

formula

  • C14H22N6O5S

inchi

  • InChI=1S/C14H22N6O5S/c15-8(5-26)12(22)20-10(3-7-4-17-6-18-7)13(23)19-9(14(24)25)1-2-11(16)21/h4,6,8-10,26H,1-3,5,15H2,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t8-,9-,10-/m0/s1

inchikey

  • VTJLJQGUMBWHBP-GUBZILKMSA-N

mass

  • 386.430

monoisotopicmass

  • 386.13724

smiles

  • SC[C@H](N)C(=O)N[C@@H](CC=1NC=NC1)C(=O)N[C@@H](CCC(=O)N)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S)-5-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:161391

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