PME

N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER

Created:	1999-07-08
Last modified:	2020-06-05

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2 entries where PME is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	6

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Chemical Component Summary
Name	N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER
Synonyms	ASPARTAME
Systematic Name (OpenEye OEToolkits)	(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenyl-propan-2-yl]amino]-4-oxo-butanoic acid
Formula	C₁₄ H₁₈ N₂ O₅
Molecular Weight	294.303
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1ccccc1
SMILES	CACTVS	3.341	COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](N)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)N
Canonical SMILES	CACTVS	3.341	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N
InChI	InChI	1.03	InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKey	InChI	1.03	IAOZJIPTCAWIRG-QWRGUYRKSA-N

Drug Info: DrugBank

DrugBank ID	DB00168
Name	Aspartame
Groups	nutraceutical investigational
Description	Flavoring agent sweeter than sugar, metabolized as phenylalanine and aspartic acid.
Synonyms	1-methyl N-L-α-aspartyl-L-phenylalanate 3-Amino-N-(α-methoxycarbonylphenethyl) succinamic acid Aspartamum 3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid Aspartame Aspartylphenylalanine methyl ester 3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester 1-Methyl N-L-alpha-aspartyl-L-phenylalanate L-Aspartyl-L-phenylalanine methyl ester Aspartamo Aspartam 3-Amino-N-(α-carboxyphenethyl)succinamic acid N-methyl ester Asp-phe-ome
Indication	Used as a diet supplement and sugar substitute.
Categories	Amino Acids, Peptides, and Proteins Compounds used in a research, industrial, or household setting Diet, Food, and Nutrition Dietary Supplements Dipeptides Flavoring Agents Food Food Additives Food Ingredients OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors Oligopeptides Peptides Physiological Phenomena Supplements Sweetening Agents
CAS number	22839-47-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Taste receptor type 1 member 3	MLGPAVLGLSLWALLHPGTGAPLCLSQQLRMKGDYVLGGLFPLGEAEEAG...	unknown
Taste receptor type 1 member 2	MGPRAKTISSLFFLLWVLAEPAENSDFYLPGDYLLGGLFSLHANMKGIVH...	unknown	agonist
Transient receptor potential cation channel subfamily V member 1	MKKWSSTDLGAAADPLQKDTCPDPLDGDPNSRPPPAKPQLSTAKSRTRLF...	unknown	inducer
Solute carrier family 22 member 6	MAFNDLLQQVGGVGRFQQIQVTLVVLPLLLMASHNTLQNFTAAIPTHHCR...	unknown	inhibitor
Solute carrier family 22 member 8	MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCR...	unknown	inhibitor
Solute carrier family 22 member 11	MAFSKLLEQAGGVGLFQTLQVLTFILPCLMIPSQMLLENFSAAIPGHRCW...	unknown	inhibitor
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682