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CHEBI:159981 - Asn-Met-Phe

ChEBI IDCHEBI:159981
ChEBI NameAsn-Met-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26N4O5S
Net Charge0
Average Mass410.496
Monoisotopic Mass410.16239
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H26N4O5S/c1-28-8-7-13(21-16(24)12(19)10-15(20)23)17(25)22-14(18(26)27)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,24)(H,22,25)(H,26,27)/t12-,13-,14-/m0/s1
InChIKeyRLHANKIRBONJBK-IHRRRGAJSA-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)
Asn-Met-Phe (CHEBI:159981) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-phenylpropanoic acid