loading...| 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 |
Wikipedia:Neotame HMDB:HMDB0034566 PMID:24612793 PMID:25216979 PMID:23595253 CAS:165450-17-9 Reaxys:8352678 |
|
| 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 |
|
| 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 |
|
| treeView | ||
| subClassOf |