Basic information
- CAS
25548-16-7- Standard SMILES
COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O- InChIKey
IAOZJIPTCAWIRG-UHFFFAOYSA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.12157168
Overview
Methyl alpha-aspartylphenylalaninate is a peptide.
Names & identifiers
- Preferred name
- Methyl alpha-aspartylphenylalaninate
- IUPAC
- 3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
- English name
- ASPARTAME
- Molecular formula
- C14H18N2O5
- Molecular weight
- 0
Names & synonyms
25548-16-7methyl alpha-aspartylphenylalaninateDTXSID90274359RefChem:356533DTXCID602258383-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acidTri-sweetPhenylalanine,a-aspartyl-, 2-methyl ester3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid7421-84-33-Amino-4-((1-methoxy-1-oxo-3-phenylpropan-2-yl)amino)-4-oxobutanoic acidSanecta
Show more names
METHYL L-ALPHA-ASPARTYL-L-PHENYLALANINATE
L-Phenylalanine, L-.alpha.-aspartyl-, 2-methyl esterSMR001550628L-Alpha-aspartyl-L-phenylalanine-methylesterN-(L-alpha-Aspartyl)-L-phenylalanine methyl esterAspartame PowderL-AspartameNCGC00095160-01Aspartame, granular
Database identifiers
- CAS
25548-16-7、7421-84-3- PubChem CID
- 2242
- DTXSID
DTXSID90274359- ChEMBL
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Chemistry & industry
Suppliers6 total
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Aspartame is a dipeptide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of methyl L-phenylalaninate. Commonly used as an artificial sweetener. It has a role as a sweetening agent, a nutraceutical, a micronutrient, a xenobiotic, an environmental contaminant, an apoptosis inhibitor and an EC 3.1.3.1 (alkaline phosphatase) inhibitor. It is a dipeptide, a carboxylic acid and a methyl ester. It is functionally related to a L-aspartic acid and a methyl L-phenylalaninate.
Related reactions
3 records
Compound notes
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