CHEBI:159395 - Arg-Tyr-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-Tyr-Ala
ChEBI ID CHEBI:159395
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H28N6O5
Net Charge 0
Average Mass 408.459
Monoisotopic Mass 408.21212
InChI InChI=1S/C18H28N6O5/c1-10(17(28)29)23-16(27)14(9-11-4-6-12(25)7-5-11)24-15(26)13(19)3-2-8-22-18(20)21/h4-7,10,13-14,25H,2-3,8-9,19H2,1H3,(H,23,27)(H,24,26)(H,28,29)(H4,20,21,22)/t10-,13-,14-/m0/s1
InChIKey NVPHRWNWTKYIST-BPNCWPANSA-N
SMILES O=C(N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](C)C(O)=O)[C@@H](N)CCCN=C(N)N
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-Tyr-Ala (CHEBI:159395) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid