{(3R,4S)-1-(Isopropylcarbamoyl)-3-[(7-methyl-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid
12611
Reference
{(3R,4S)-1-(Isopropylcarbamoyl)-3-[(7-methyl-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[(7-Methyl-3,4-dihydroisoquinolin-1-yl)methyl]-1-(propan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
ID: Reference12611
Other Names: NAT14-502441
Formula: C22H31N3O3
Spectral Data
{(3R,4S)-1-(Isopropylcarbamoyl)-3-[(7-methyl-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 | 2 |
| No. of Spectra | 4939 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/23/2023 11:56:27 AM |
Identificators
| InChI | InChI=1S/C22H31N3O3/c1-14(2)24-22(28)25-9-7-17(12-21(26)27)18(13-25)11-20-19-10-15(3)4-5-16(19)6-8-23-20/h4-5,10,14,17-18H,6-9,11-13H2,1-3H3,(H,24,28)(H,26,27)/t17-,18-/m0/s1 |
| InChI Key | LHCOBKWWLAVPSR-ROUUACIJSA-N |
| Canonical SMILES | CC1=CC2=C(CCN=C2CC3CN(CCC3CC(=O)O)C(=O)NC(C)C)C=C1 |
| CAS | |
| Splash | |
| Other Names | NAT14-502441 |