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CHEBI:161040 - Met-Pro-Trp

ChEBI IDCHEBI:161040
ChEBI NameMet-Pro-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N4O4S
Net Charge0
Average Mass432.546
Monoisotopic Mass432.18313
SMILESCSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H28N4O4S/c1-30-10-8-15(22)20(27)25-9-4-7-18(25)19(26)24-17(21(28)29)11-13-12-23-16-6-3-2-5-14(13)16/h2-3,5-6,12,15,17-18,23H,4,7-11,22H2,1H3,(H,24,26)(H,28,29)/t15-,17-,18-/m0/s1
InChIKeyKVNOBVKRBOYSIV-SZMVWBNQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Met-Pro-Trp (CHEBI:161040) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid