[(3R,4S)-3-{2-[(2S)-2-Carbamoyl-1-pyrrolidinyl]ethyl}-1-(phenoxyacetyl)-4-piperidinyl]acetic acid
13118
Reference
[(3R,4S)-3-{2-[(2S)-2-Carbamoyl-1-pyrrolidinyl]ethyl}-1-(phenoxyacetyl)-4-piperidinyl]acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[2-[(2S)-2-Carbamoylpyrrolidin-1-yl]ethyl]-1-(2-phenoxyacetyl)piperidin-4-yl]acetic acid
ID: Reference13118
Other Names: NAT14-335566
Formula: C22H31N3O5
Spectral Data
[(3R,4S)-3-{2-[(2S)-2-Carbamoyl-1-pyrrolidinyl]ethyl}-1-(phenoxyacetyl)-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 |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1655 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/26/2024 9:56:47 AM |
Identificators
| InChI | InChI=1S/C22H31N3O5/c23-22(29)19-7-4-10-24(19)11-9-17-14-25(12-8-16(17)13-21(27)28)20(26)15-30-18-5-2-1-3-6-18/h1-3,5-6,16-17,19H,4,7-15H2,(H2,23,29)(H,27,28)/t16-,17-,19-/m0/s1 |
| InChI Key | GPCQDUZEWFGEDQ-LNLFQRSKSA-N |
| Canonical SMILES | C1CC(N(C1)CCC2CN(CCC2CC(=O)O)C(=O)COC3=CC=CC=C3)C(=O)N |
| CAS | |
| Splash | |
| Other Names | NAT14-335566 |