CHEBI:164739 - Trp-Leu-Glu

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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 Trp-Leu-Glu
ChEBI ID CHEBI:164739
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30N4O6
Net Charge 0
Average Mass 446.504
Monoisotopic Mass 446.21653
InChI InChI=1S/C22H30N4O6/c1-12(2)9-18(21(30)25-17(22(31)32)7-8-19(27)28)26-20(29)15(23)10-13-11-24-16-6-4-3-5-14(13)16/h3-6,11-12,15,17-18,24H,7-10,23H2,1-2H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)/t15-,17-,18-/m0/s1
InChIKey VPRHDRKAPYZMHL-SZMVWBNQSA-N
SMILES O=C(N[C@@H](CCC(O)=O)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)CC(C)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 )
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ChEBI Ontology
Outgoing Trp-Leu-Glu (CHEBI:164739) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
Manual Xref Database
2340174 ChemSpider
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Registry Number Type Source
116778-82-6 CAS Registry Number ChemIDplus