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CHEBI:111167 - 2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid

ChEBI IDCHEBI:111167
ChEBI Name2-[[2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid
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DownloadsMolfile
FormulaC21H31N3O5S
Net Charge0
Average Mass437.562
Monoisotopic Mass437.19844
SMILESCSCCC(NC=O)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)
InChIKeyPRQROPMIIGLWRP-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-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid (CHEBI:111167) is a peptide (CHEBI:16670)
Manual XrefsDatabases
LSM-22614LINCS