[(3R,4S)-1-(Isopropylcarbamoyl)-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-(propan-2-ylcarbamoyl)piperidin-4-yl]acetic acid

ID: Reference8827

Other Names: 4-Piperidineacetic acid, 3-[[7-(1,1-dimethylethyl)-3,4-dihydro-1-isoquinolinyl]methyl]-1-[[(1-methylethyl)amino]carbonyl]-, (3R,4S)-;
NAT14-502633

Formula: C25H37N3O3

Spectral Data

[(3R,4S)-1-(Isopropylcarbamoyl)-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 4377
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 7:53:42 AM
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Identificators

InChI InChI=1S/C25H37N3O3/c1-16(2)27-24(31)28-11-9-18(13-23(29)30)19(15-28)12-22-21-14-20(25(3,4)5)7-6-17(21)8-10-26-22/h6-7,14,16,18-19H,8-13,15H2,1-5H3,(H,27,31)(H,29,30)/t18-,19-/m0/s1
InChI Key PKFCTUMBWKRHHH-OALUTQOASA-N
Canonical SMILES CC(C)NC(=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-[[(1-methylethyl)amino]carbonyl]-, (3R,4S)-;
NAT14-502633

In Other Databases

ChemSpider 29857456
PubChem 51136755