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CHEBI:193892 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2-methyl-3-oxo-1-phenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

ChEBI IDCHEBI:193892
ChEBI Name2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2-methyl-3-oxo-1-phenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N3O8S
Net Charge0
Average Mass483.543
Monoisotopic Mass483.16754
SMILESCC(=O)C(C)(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)c1ccccc1
InChIInChI=1S/C21H29N3O8S/c1-12(25)21(2,18(29)13-6-4-3-5-7-13)33-11-15(19(30)23-10-17(27)28)24-16(26)9-8-14(22)20(31)32/h3-7,14-15,18,29H,8-11,22H2,1-2H3,(H,23,30)(H,24,26)(H,27,28)(H,31,32)
InChIKeyISKHNTFDDRHENS-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-[(1-hydroxy-2-methyl-3-oxo-1-phenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193892) is a peptide (CHEBI:16670)
IUPAC Name 
2-amino-5-[[1-(carboxymethylamino)-3-(1-hydroxy-2-methyl-3-oxo-1-phenylbutan-2-yl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid