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Concept information

Preferred term

Met-Phe-Met zwitterion  

Type

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

charge

  • 0

formula

  • C19H29N3O4S2

inchi

  • InChI=1S/C19H29N3O4S2/c1-27-10-8-14(20)17(23)22-16(12-13-6-4-3-5-7-13)18(24)21-15(19(25)26)9-11-28-2/h3-7,14-16H,8-12,20H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t14-,15-,16-/m0/s1

inchikey

  • ZACMJPCWVSLCNS-JYJNAYRXSA-N

is_tautomer_of

mass

  • 427.580

monoisotopicmass

  • 427.15995

smiles

  • CSCC[C@H]([NH3+])C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (2S)-2-({N-[(2S)-2-azaniumyl-4-(methylsulfanyl)butanoyl]-L-phenylalanyl}amino)-4-(methylsulfanyl)butanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191211

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