CHEBI:158843 - Ile-Trp-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 Ile-Trp-Trp
ChEBI ID CHEBI:158843
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H33N5O4
Net Charge 0
Average Mass 503.603
Monoisotopic Mass 503.25325
InChI InChI=1S/C28H33N5O4/c1-3-16(2)25(29)27(35)32-23(12-17-14-30-21-10-6-4-8-19(17)21)26(34)33-24(28(36)37)13-18-15-31-22-11-7-5-9-20(18)22/h4-11,14-16,23-25,30-31H,3,12-13,29H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t16-,23-,24-,25-/m0/s1
InChIKey XDVKZSJODLMNLJ-GGQYPGDFSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC=3C=4C(NC3)=CC=CC4)C(O)=O)[C@@H](N)[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 Ile-Trp-Trp (CHEBI:158843) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid