Ethyl 3-[({(3R,4S)-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-piperidinyl}carbonyl)amino]benzoate

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Systematic / IUPAC Name: Ethyl 3-[[(3R,4S)-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carbonyl]amino]benzoate

ID: Reference10481

Other Names: Benzoic acid, 3-[[[(3R,4S)-3-ethyl-4-[2-oxo-2-(2-thiazolylamino)ethyl]-1-piperidinyl]carbonyl]amino]-, ethyl ester;
NAT14-323736

Formula: C22H28N4O4S

Spectral Data

Ethyl 3-[({(3R,4S)-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-piperidinyl}carbonyl)amino]benzoate 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 Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 3700
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/21/2021 12:37:04 PM
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Identificators

InChI InChI=1S/C22H28N4O4S/c1-3-15-14-26(10-8-16(15)13-19(27)25-21-23-9-11-31-21)22(29)24-18-7-5-6-17(12-18)20(28)30-4-2/h5-7,9,11-12,15-16H,3-4,8,10,13-14H2,1-2H3,(H,24,29)(H,23,25,27)/t15-,16-/m0/s1
InChI Key ROYNKPZAHSGFSL-HOTGVXAUSA-N
Canonical SMILES CCC1CN(CCC1CC(=O)NC2=NC=CS2)C(=O)NC3=CC=CC(=C3)C(=O)OCC
CAS
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Other Names Benzoic acid, 3-[[[(3R,4S)-3-ethyl-4-[2-oxo-2-(2-thiazolylamino)ethyl]-1-piperidinyl]carbonyl]amino]-, ethyl ester;
NAT14-323736

In Other Databases

PubChem 11912454
ChemSpider 10086777