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CHEBI:111175 - 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid

ChEBI IDCHEBI:111175
ChEBI Name2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid
Stars
DownloadsMolfile
FormulaC15H20N2O4S
Net Charge0
Average Mass324.402
Monoisotopic Mass324.11438
SMILESCSCCC(NC=O)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H20N2O4S/c1-22-8-7-12(16-10-18)14(19)17-13(15(20)21)9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyVZQJQFGSAAGNSI-UHFFFAOYSA-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)
2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid (CHEBI:111175) is a peptide (CHEBI:16670)
Manual XrefsDatabases
LSM-22629LINCS