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Systematic / IUPAC Name: Methyl N-(3,3-dimethylbutyl)-α-aspartylphenylalaninate

ID: Reference1098

Other Names: (S)-3-[(3,3-Dimethylbutyl)amino]-4-{[(S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobutanoic acid ;
N-[N-(3,3-Dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester

Formula: C20H30N2O5

Class: Excipients/Additives/Colorants

Spectral Data

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Available MS Data

Used Instruments LTQ Orbitrap XL
No. of Spectral Trees 2
No. of Spectra 121
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/26/2017 7:31:07 AM
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Identificators

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
InChI Key HLIAVLHNDJUHFG-HOTGVXAUSA-N
Canonical SMILES CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC
CAS 165450179
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Other Names (S)-3-[(3,3-Dimethylbutyl)amino]-4-{[(S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobutanoic acid ;
N-[N-(3,3-Dimethylbutyl)-L-α-aspartyl]-L-phenylalanine 1-methyl ester

In Other Databases

ChemSpider 3032042
Wikipedia Neotame
PubChem 9810996