{(3R,4S)-1-(Isopropylcarbamoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid
12555
Reference
{(3R,4S)-1-(Isopropylcarbamoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[(6-Methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1-(propan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
ID: Reference12555
Other Names: NAT14-502121
Formula: C22H31N3O4
Spectral Data
{(3R,4S)-1-(Isopropylcarbamoyl)-3-[(6-methoxy-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2540 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/26/2023 1:15:44 PM |
Identificators
| InChI | InChI=1S/C22H31N3O4/c1-14(2)24-22(28)25-9-7-15(12-21(26)27)17(13-25)11-20-19-5-4-18(29-3)10-16(19)6-8-23-20/h4-5,10,14-15,17H,6-9,11-13H2,1-3H3,(H,24,28)(H,26,27)/t15-,17-/m0/s1 |
| InChI Key | LBJLVMWOYINTGG-RDJZCZTQSA-N |
| Canonical SMILES | CC(C)NC(=O)N1CCC(C(C1)CC2=NCCC3=C2C=CC(=C3)OC)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-502121 |