CHEBI:160953 - Asp-Trp-Asp

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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-Asp
ChEBI ID CHEBI:160953
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22N4O8
Net Charge 0
Average Mass 434.405
Monoisotopic Mass 434.14376
InChI InChI=1S/C19H22N4O8/c20-11(6-15(24)25)17(28)22-13(18(29)23-14(19(30)31)7-16(26)27)5-9-8-21-12-4-2-1-3-10(9)12/h1-4,8,11,13-14,21H,5-7,20H2,(H,22,28)(H,23,29)(H,24,25)(H,26,27)(H,30,31)/t11-,13-,14-/m0/s1
InChIKey DKQCWCQRAMAFLN-UBHSHLNASA-N
SMILES O=C(N[C@@H](CC(O)=O)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-Asp (CHEBI:160953) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid