CHEBI:164534 - Trp-Asp-Ile

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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-Asp-Ile
ChEBI ID CHEBI:164534
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H28N4O6
Net Charge 0
Average Mass 432.477
Monoisotopic Mass 432.20088
InChI InChI=1S/C21H28N4O6/c1-3-11(2)18(21(30)31)25-20(29)16(9-17(26)27)24-19(28)14(22)8-12-10-23-15-7-5-4-6-13(12)15/h4-7,10-11,14,16,18,23H,3,8-9,22H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t11-,14-,16-,18-/m0/s1
InChIKey DVAAUUVLDFKTAQ-VHWLVUOQSA-N
SMILES O=C(N[C@@H]([C@H](CC)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)CC(O)=O
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-Asp-Ile (CHEBI:164534) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid