CHEBI:160195 - Asn-Trp-Val

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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 Asn-Trp-Val
ChEBI ID CHEBI:160195
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H27N5O5
Net Charge 0
Average Mass 417.466
Monoisotopic Mass 417.20122
InChI InChI=1S/C20H27N5O5/c1-10(2)17(20(29)30)25-19(28)15(24-18(27)13(21)8-16(22)26)7-11-9-23-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,23H,7-8,21H2,1-2H3,(H2,22,26)(H,24,27)(H,25,28)(H,29,30)/t13-,15-,17-/m0/s1
InChIKey YQPSDMUGFKJZHR-QRTARXTBSA-N
SMILES O=C(N[C@@H](C(C)C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CC(=O)N)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 )
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ChEBI Ontology
Outgoing Asn-Trp-Val (CHEBI:160195) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid