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Neotame

CAT: 0013-GTR19172724-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172724-01Size:500 mg
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Description
Neotame (HSDB 7965) is a potent, non-nutritive dipeptide sweetener used in food and beverage applications. It is widely employed in research to study sweet taste receptors and metabolism, with utility in both in vitro assays and in vivo dietary studies.
CAS Number
165450-17-9
Product Name Alternative
Aspartame, artificial, Neotame, NC 00723, NC00723, NC-00723, non-nutritive, low-caloric, inhibit, Inhibitor, high-intensity, HSDB 7965, HSDB7965, HSDB-7965, sweetener
Field of Research
Cell Biology, Metabolism Research
Purity
99.39% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.28 mM) ; DMSO:45 mg/mL (118.9 mM)
Smiles
COC (=O) C (Cc1ccccc1) NC (=O) C (CC (O) =O) NCCC (C) (C) C
Molecular Formula
C20H30N2O5
Molecular Weight
378.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neotame

Neotame is a dipeptide composed of N-(3,3-dimethylbutyl)-L-aspartic acid and methyl L-phenylalanate units joined by a peptide linkage. It has a role as a xenobiotic, a sweetening agent and an environmental contaminant.

CAS Number165450-17-9
PubChem CID9810996
IUPAC Name(3S)-3-(3,3-dimethylbutylamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC20H30N2O5
Molecular Weight378.5
XLogP-0.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count27
Formal Charge0
Complexity495
SMILES
CC(C)(C)CCN[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC
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
Chemical Structure
2D Structure
2D structure of Neotame
CAS: 165450-17-9
CID: 9810996
Formula: C20H30N2O5
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP3-0.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass378.21547206
Monoisotopic Mass378.21547206
Topological Polar Surface Area105 Ų
Heavy Atom Count27
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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