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Concept information

Preferred term

Ile Trp Met  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32N4O4S

inchi

  • InChI=1S/C22H32N4O4S/c1-4-13(2)19(23)21(28)26-18(20(27)25-17(22(29)30)9-10-31-3)11-14-12-24-16-8-6-5-7-15(14)16/h5-8,12-13,17-19,24H,4,9-11,23H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t13-,17-,18-,19-/m0/s1

inchikey

  • CRYJOCSSSACEAA-VKOGCVSHSA-N

mass

  • 448.580

monoisotopicmass

  • 448.21443

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:158833

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