CHEBI:230406 - Benzoylphenylalanyl-alanyl-proline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Benzoylphenylalanyl-alanyl-proline
ChEBI ID CHEBI:230406
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 C24H27N3O5
Net Charge 0
Average Mass 437.496
Monoisotopic Mass 437.19507
InChI InChI=1S/C24H27N3O5/c1-16(23(30)27-14-8-13-20(27)24(31)32)25-22(29)19(15-17-9-4-2-5-10-17)26-21(28)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3,(H,25,29)(H,26,28)(H,31,32)/t16-,19-,20-/m0/s1
InChIKey GKCBQPXKGNTQKX-VDGAXYAQSA-N
SMILES O=C(N1[C@@H](CCC1)C(O)=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). 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 Benzoylphenylalanyl-alanyl-proline (CHEBI:230406) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-1-[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Manual Xref Database
102908 ChemSpider
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