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CHEBI:160951 - Asp-Trp-Asn

ChEBI IDCHEBI:160951
ChEBI NameAsp-Trp-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N5O7
Net Charge0
Average Mass433.421
Monoisotopic Mass433.15975
SMILESNC(=O)C[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C19H23N5O7/c20-11(6-16(26)27)17(28)23-13(18(29)24-14(19(30)31)7-15(21)25)5-9-8-22-12-4-2-1-3-10(9)12/h1-4,8,11,13-14,22H,5-7,20H2,(H2,21,25)(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t11-,13-,14-/m0/s1
InChIKeyNVXLFIPTHPKSKL-UBHSHLNASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asp-Trp-Asn (CHEBI:160951) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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