CHEBI:160957 - Asp-Trp-Gln

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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-Trp-Gln
ChEBI ID CHEBI:160957
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H25N5O7
Net Charge 0
Average Mass 447.448
Monoisotopic Mass 447.17540
InChI InChI=1S/C20H25N5O7/c21-12(8-17(27)28)18(29)25-15(7-10-9-23-13-4-2-1-3-11(10)13)19(30)24-14(20(31)32)5-6-16(22)26/h1-4,9,12,14-15,23H,5-8,21H2,(H2,22,26)(H,24,30)(H,25,29)(H,27,28)(H,31,32)/t12-,14-,15-/m0/s1
InChIKey LLRJPYJQNBMOOO-QEJZJMRPSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC=1C=2C(NC1)=CC=CC2
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-Trp-Gln (CHEBI:160957) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid