Preferred Name |
neotame |
|
Synonyms |
methyl N-(3,3-dimethylbutyl)-L-alpha-aspartyl-L-phenylalaninate N-[N-(3,3-dimethylbutyl)-L-alpha-aspartyl]-L-phenylalanine methyl ester |
|
Definitions |
A dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_83503 |
|
charge |
0 |
|
database_cross_reference |
PMID:24612793 HMDB:HMDB0034566 PMID:25216979 CAS:165450-17-9 Wikipedia:Neotame Reaxys:8352678 PMID:23595253 |
|
definition |
A dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage. |
|
formula |
C20H30N2O5 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35703 |
|
has_exact_synonym |
methyl N-(3,3-dimethylbutyl)-L-alpha-aspartyl-L-phenylalaninate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
N-[N-(3,3-dimethylbutyl)-L-alpha-aspartyl]-L-phenylalanine methyl ester |
|
has_RxCUI |
1367111 |
|
id |
CHEBI:83503 |
|
in_subset | ||
inchi |
InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(13-17(23)24)18(25)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,25)(H,23,24)/t15-,16-/m0/s1 |
|
inchikey |
HLIAVLHNDJUHFG-HOTGVXAUSA-N |
|
label |
neotame |
|
mass |
378.46260 |
|
monoisotopicmass |
378.21547 |
|
notation |
CHEBI:83503 |
|
prefLabel |
neotame |
|
smiles |
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NCCC(C)(C)C |
|
subClassOf |