CHEBI:193914 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-5-oxo-1,7-diphenylheptan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

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ChEBI Name 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-5-oxo-1,7-diphenylheptan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
ChEBI ID CHEBI:193914
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C29H37N3O8S
Net Charge 0
Average Mass 587.690
Monoisotopic Mass 587.23014
InChI InChI=1S/C29H37N3O8S/c30-22(29(39)40)14-16-25(34)32-23(28(38)31-17-26(35)36)18-41-24(27(37)20-9-5-2-6-10-20)15-13-21(33)12-11-19-7-3-1-4-8-19/h1-10,22-24,27,37H,11-18,30H2,(H,31,38)(H,32,34)(H,35,36)(H,39,40)
InChIKey JREFNQRRGWDQIT-UHFFFAOYSA-N
SMILES S(C(CCC(=O)CCC1=CC=CC=C1)C(O)C2=CC=CC=C2)CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
Metabolite of Species Details
synthetic microbial community (NCBI:txid3229850) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-5-oxo-1,7-diphenylheptan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid (CHEBI:193914) is a peptide (CHEBI:16670)
IUPAC Name
2-amino-5-[[1-(carboxymethylamino)-3-(1-hydroxy-5-oxo-1,7-diphenylheptan-2-yl)sulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid