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CHEBI:190707 - Tyr-Ile-Leu zwitterion

ChEBI IDCHEBI:190707
ChEBI NameTyr-Ile-Leu zwitterion
Stars
DefinitionA tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Tyr-Ile-Leu. Major microspecies at pH 7.3.
Last Modified8 April 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H33N3O5
Net Charge0
Average Mass407.511
Monoisotopic Mass407.24202
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]
InChIInChI=1S/C21H33N3O5/c1-5-13(4)18(20(27)23-17(21(28)29)10-12(2)3)24-19(26)16(22)11-14-6-8-15(25)9-7-14/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13-,16-,17-,18-/m0/s1
InChIKeyHVPPEXXUDXAPOM-MGHWNKPDSA-N
ChEBI Ontology
Outgoing Relation(s)
Tyr-Ile-Leu zwitterion (CHEBI:190707) is a tripeptide zwitterion (CHEBI:155837)
Tyr-Ile-Leu zwitterion (CHEBI:190707) is tautomer of Tyr-Ile-Leu (CHEBI:165121)
Incoming Relation(s)
Tyr-Ile-Leu (CHEBI:165121) is tautomer of Tyr-Ile-Leu zwitterion (CHEBI:190707)
IUPAC Name 
(2S)-2-({N-[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]-L-isoleucyl}amino)-4-methylpentanoate
Synonyms  Source
L-Tyr-L-Ile-L-Leu zwitterionSUBMITTER
L-tyrosyl-L-isoleucyl-L-leucine zwitterionChEBI
YIL zwitterionChEBI
neurotensin (11-13) zwitterionChEBI
neurotensin 11-13 zwitterionChEBI
neurotensin zwitterion fragment 11-13ChEBI
UniProt Name  Source
L-tyrosyl-L-isoleucyl-L-leucineUniProt