CHEBI:159358 - Arg-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 Arg-Trp-Ala
ChEBI ID CHEBI:159358
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H29N7O4
Net Charge 0
Average Mass 431.497
Monoisotopic Mass 431.22810
InChI InChI=1S/C20H29N7O4/c1-11(19(30)31)26-18(29)16(9-12-10-25-15-7-3-2-5-13(12)15)27-17(28)14(21)6-4-8-24-20(22)23/h2-3,5,7,10-11,14,16,25H,4,6,8-9,21H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/t11-,14-,16-/m0/s1
InChIKey DRDWXKWUSIKKOB-PJODQICGSA-N
SMILES O=C(N[C@@H](C)C(O)=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)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 Arg-Trp-Ala (CHEBI:159358) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid