[(3R,4S)-1-(Ethylcarbamoyl)-3-{[7-(2-methyl-2-propanyl)-3,4-dihydro-1-isoquinolinyl]methyl}-4-piperidinyl]acetic acid

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Systematic / IUPAC Name: 2-[(3R,4S)-3-[(7-tert-Butyl-3,4-dihydroisoquinolin-1-yl)methyl]-1-(ethylcarbamoyl)piperidin-4-yl]acetic acid

ID: Reference8810

Other Names: 4-Piperidineacetic acid, 3-[[7-(1,1-dimethylethyl)-3,4-dihydro-1-isoquinolinyl]methyl]-1-[(ethylamino)carbonyl]-, (3R,4S)-;
NAT14-502626

Formula: C24H35N3O3

Spectral Data

[(3R,4S)-1-(Ethylcarbamoyl)-3-{[7-(2-methyl-2-propanyl)-3,4-dihydro-1-isoquinolinyl]methyl}-4-piperidinyl]acetic acid 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 4188
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 7:46:21 AM
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Identificators

InChI InChI=1S/C24H35N3O3/c1-5-25-23(30)27-11-9-17(13-22(28)29)18(15-27)12-21-20-14-19(24(2,3)4)7-6-16(20)8-10-26-21/h6-7,14,17-18H,5,8-13,15H2,1-4H3,(H,25,30)(H,28,29)/t17-,18-/m0/s1
InChI Key WRGFGCAOSZEPBD-ROUUACIJSA-N
Canonical SMILES CCNC(=O)N1CCC(C(C1)CC2=NCCC3=C2C=C(C=C3)C(C)(C)C)CC(=O)O
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Other Names 4-Piperidineacetic acid, 3-[[7-(1,1-dimethylethyl)-3,4-dihydro-1-isoquinolinyl]methyl]-1-[(ethylamino)carbonyl]-, (3R,4S)-;
NAT14-502626

In Other Databases

ChemSpider 29857454
PubChem 51136752