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CHEBI:233331 - elamipretide

ChEBI IDCHEBI:233331
ChEBI Nameelamipretide
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC32H49N9O5
Net Charge0
Average Mass639.802
Monoisotopic Mass639.38567
SMILES[H][C@@](Cc1ccccc1)(/N=C(\O)[C@]([H])(CCCCN)/N=C(\O)[C@]([H])(Cc1c(C)cc(O)cc1C)/N=C(\O)[C@]([H])(N)CCCNC(=N)N)C(=N)O
InChIInChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)/t24-,25+,26+,27+/m1/s1
InChIKeySFVLTCAESLKEHH-WKAQUBQDSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
elamipretide (CHEBI:233331) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]hexanamide
Synonyms  Source
SS31SUBMITTER
D-arginyl-2,6-dimethyl-L-tyrosyl-L-lysyl-L-phenylalaninamideSUBMITTER
Manual XrefsDatabases
DB11981DrugBank
D10925KEGG DRUG
https://en.wikipedia.org/wiki/ElamipretideWikipedia
Registry NumbersSources
CAS:736992-21-5SUBMITTER