CHEBI:160656 - Asp-Ile-Phe

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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 Asp-Ile-Phe
ChEBI ID CHEBI:160656
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H27N3O6
Net Charge 0
Average Mass 393.440
Monoisotopic Mass 393.18999
InChI InChI=1S/C19H27N3O6/c1-3-11(2)16(22-17(25)13(20)10-15(23)24)18(26)21-14(19(27)28)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t11-,13-,14-,16-/m0/s1
InChIKey PYXXJFRXIYAESU-PCBIJLKTSA-N
SMILES O=C(N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@H](CC)C
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 Asp-Ile-Phe (CHEBI:160656) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S,3S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid