CHEBI:166410 - Val-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 Val-Trp-Trp
ChEBI ID CHEBI:166410
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H31N5O4
Net Charge 0
Average Mass 489.576
Monoisotopic Mass 489.23760
InChI InChI=1S/C27H31N5O4/c1-15(2)24(28)26(34)31-22(11-16-13-29-20-9-5-3-7-18(16)20)25(33)32-23(27(35)36)12-17-14-30-21-10-6-4-8-19(17)21/h3-10,13-15,22-24,29-30H,11-12,28H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)/t22-,23-,24-/m0/s1
InChIKey HOZAIQIEJTWWDG-HJOGWXRNSA-N
SMILES O=C(N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O)[C@@H](NC(=O)[C@@H](N)C(C)C)CC=3C=4C(NC3)=CC=CC4
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 Val-Trp-Trp (CHEBI:166410) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid