Methyl N-{[(2S)-1-(4-morpholinylcarbonyl)-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate
11698
Reference
Methyl N-{[(2S)-1-(4-morpholinylcarbonyl)-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate Structure
Systematic / IUPAC Name: Methyl (2R)-2-[[(2S)-1-(morpholine-4-carbonyl)-4-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate
ID: Reference11698
Other Names: NAT9-311979
Formula: C25H36N6O6
Spectral Data
Methyl N-{[(2S)-1-(4-morpholinylcarbonyl)-4-(4-piperidinylcarbonyl)-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 | 2119 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/25/2022 8:54:36 AM |
Identificators
| InChI | InChI=1S/C25H36N6O6/c1-36-24(34)20(15-18-3-2-6-27-16-18)28-22(32)21-17-30(23(33)19-4-7-26-8-5-19)9-10-31(21)25(35)29-11-13-37-14-12-29/h2-3,6,16,19-21,26H,4-5,7-15,17H2,1H3,(H,28,32)/t20-,21+/m1/s1 |
| InChI Key | QCFVHIVTLXTDBR-RTWAWAEBSA-N |
| Canonical SMILES | COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)N3CCOCC3)C(=O)C4CCNCC4 |
| CAS | |
| Splash | |
| Other Names | NAT9-311979 |