CHEBI:160947 - Asp-Trp-Ala

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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 Asp-Trp-Ala
ChEBI ID CHEBI:160947
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22N4O6
Net Charge 0
Average Mass 390.396
Monoisotopic Mass 390.15393
InChI InChI=1S/C18H22N4O6/c1-9(18(27)28)21-17(26)14(22-16(25)12(19)7-15(23)24)6-10-8-20-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,20H,6-7,19H2,1H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t9-,12-,14-/m0/s1
InChIKey XOASPVGNFAMYBD-WFBYXXMGSA-N
SMILES O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CC=1C=2C(NC1)=CC=CC2
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 Asp-Trp-Ala (CHEBI:160947) is a peptide (CHEBI:16670)
IUPAC Name
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid