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Ethyl aspartylphenylalaninate

CAT: 0931-T31707Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31707Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22839-83-4
Target
Others
Related Pathways
Others
Bioactivity
Ethyl aspartylphenylalaninate is an artificial non-saccharide sweetener used as a sugar substitute.
Smiles
[C@@H](CC1=CC=CC=C1)(NC([C@H](CC(O)=O)N)=O)C(OCC)=O
Molecular Formula
C15H20N2O5
Molecular Weight
308.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl aspartylphenylalaninate
CAS Number22839-83-4
PubChem CID14456285
IUPAC Name(3S)-3-amino-4-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC15H20N2O5
Molecular Weight308.33
XLogP-1.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity393
SMILES
CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C15H20N2O5/c1-2-22-15(21)12(8-10-6-4-3-5-7-10)17-14(20)11(16)9-13(18)19/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,20)(H,18,19)/t11-,12-/m0/s1
InChIKey
SZXAXWBWWRMFNS-RYUDHWBXSA-N
Chemical Structure
2D Structure
2D structure of Ethyl aspartylphenylalaninate
CAS: 22839-83-4
CID: 14456285
Formula: C15H20N2O5
MW: 308.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.33
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass308.13722174
Monoisotopic Mass308.13722174
Topological Polar Surface Area119 Ų
Heavy Atom Count22
Formal Charge0
Complexity393
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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