Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate
11601
Reference
Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate Structure
Systematic / IUPAC Name: Methyl (2R)-2-[[(2S)-1-(cyclohexylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate
ID: Reference11601
Other Names: NAT9-312025
Formula: C21H31N5O4
Spectral Data
Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate 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 | 1669 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/1/2022 9:14:30 AM |
Identificators
| InChI | InChI=1S/C21H31N5O4/c1-30-20(28)17(12-15-6-5-9-22-13-15)25-19(27)18-14-23-10-11-26(18)21(29)24-16-7-3-2-4-8-16/h5-6,9,13,16-18,23H,2-4,7-8,10-12,14H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1 |
| InChI Key | XKYQZCSPHBUONW-MSOLQXFVSA-N |
| Canonical SMILES | COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CNCCN2C(=O)NC3CCCCC3 |
| CAS | |
| Splash | |
| Other Names | NAT9-312025 |