CHEBI:160879 - Met-Leu-Trp

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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 Met-Leu-Trp
ChEBI ID CHEBI:160879
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32N4O4S
Net Charge 0
Average Mass 448.580
Monoisotopic Mass 448.21443
InChI InChI=1S/C22H32N4O4S/c1-13(2)10-18(25-20(27)16(23)8-9-31-3)21(28)26-19(22(29)30)11-14-12-24-17-7-5-4-6-15(14)17/h4-7,12-13,16,18-19,24H,8-11,23H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t16-,18-,19-/m0/s1
InChIKey OCRSGGIJBDUXHU-WDSOQIARSA-N
SMILES S(CC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)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 Met-Leu-Trp (CHEBI:160879) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual Xref Database
8401242 ChemSpider
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