CHEBI:162543 - Gln-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 Gln-Trp-Gln
ChEBI ID CHEBI:162543
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28N6O6
Net Charge 0
Average Mass 460.491
Monoisotopic Mass 460.20703
InChI InChI=1S/C21H28N6O6/c22-13(5-7-17(23)28)19(30)27-16(9-11-10-25-14-4-2-1-3-12(11)14)20(31)26-15(21(32)33)6-8-18(24)29/h1-4,10,13,15-16,25H,5-9,22H2,(H2,23,28)(H2,24,29)(H,26,31)(H,27,30)(H,32,33)/t13-,15-,16-/m0/s1
InChIKey CMFBOXUBWMZZMD-BPUTZDHNSA-N
SMILES O=C(N[C@@H](CCC(=O)N)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)N)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 )
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ChEBI Ontology
Outgoing Gln-Trp-Gln (CHEBI:162543) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid