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CHEBI:193898 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxy-3-oxo-1-phenylbutyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193898
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxy-3-oxo-1-phenylbutyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N3O8S
Net Charge0
Average Mass469.516
Monoisotopic Mass469.15189
SMILESCC(=O)C(O)C(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)c1ccccc1
InChIInChI=1S/C20H27N3O8S/c1-11(24)17(28)18(12-5-3-2-4-6-12)32-10-14(19(29)22-9-16(26)27)23-15(25)8-7-13(21)20(30)31/h2-6,13-14,17-18,28H,7-10,21H2,1H3,(H,22,29)(H,23,25)(H,26,27)(H,30,31)
InChIKeyVVPZZZYWRZVCIP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
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-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-hydroxy-3-oxo-1-phenylbutyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193898) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-3-oxo-1-phenylbutyl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid