{(3R,4S)-1-(Allylcarbamoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid
12540
Reference
{(3R,4S)-1-(Allylcarbamoyl)-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-(prop-2-enylcarbamoyl)piperidin-4-yl]acetic acid
ID: Reference12540
Other Names: NAT14-502115
Formula: C22H29N3O4
Spectral Data
{(3R,4S)-1-(Allylcarbamoyl)-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 | 2644 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/22/2023 1:01:49 PM |
Identificators
| InChI | InChI=1S/C22H29N3O4/c1-3-8-24-22(28)25-10-7-15(13-21(26)27)17(14-25)12-20-19-5-4-18(29-2)11-16(19)6-9-23-20/h3-5,11,15,17H,1,6-10,12-14H2,2H3,(H,24,28)(H,26,27)/t15-,17-/m0/s1 |
| InChI Key | BHNIWWLMLJLYEY-RDJZCZTQSA-N |
| Canonical SMILES | COC1=CC2=C(C=C1)C(=NCC2)CC3CN(CCC3CC(=O)O)C(=O)NCC=C |
| CAS | |
| Splash | |
| Other Names | NAT14-502115 |