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

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ChEBI Name 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid
ChEBI ID CHEBI:111175
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H20N2O4S
Net Charge 0
Average Mass 324.397
Monoisotopic Mass 324.11438
InChI InChI=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)
InChIKey VZQJQFGSAAGNSI-UHFFFAOYSA-N
SMILES CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-[[2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid (CHEBI:111175) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-22629 LINCS
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