N-[(S)-(+)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine

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Systematic / IUPAC Name: N-(1-Ethoxy-1-oxo-4-phenyl-2-butanyl)alanine

ID: Reference1795

Other Names: (S)-2-[(S)-1-Ethoxy-1-oxo-4-phenylbutan-2-ylamino]propanoic acid ;
N-[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine;
1-Ethoxylcarbonyl-3-phenylpropyl alanine

Formula: C15H21NO4

Class: Therapeutics/Prescription Drugs

Spectral Data

N-[(S)-(+)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 146
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/13/2017 2:21:07 PM
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Identificators

InChI InChI=1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChI Key CEIWXEQZZZHLDM-AAEUAGOBSA-N
Canonical SMILES CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)O
CAS
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Other Names (S)-2-[(S)-1-Ethoxy-1-oxo-4-phenylbutan-2-ylamino]propanoic acid ;
N-[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine;
1-Ethoxylcarbonyl-3-phenylpropyl alanine

In Other Databases

PubChem 5702571
ChemSpider 4642893