(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-1-(phenylsulfonyl)-4-(3-pyridinylcarbonyl)-2-piperazinecarboxamide
12067
Reference
(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-1-(phenylsulfonyl)-4-(3-pyridinylcarbonyl)-2-piperazinecarboxamide Structure
Systematic / IUPAC Name: (2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(benzenesulfonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
ID: Reference12067
Other Names: NAT9-312612
Formula: C26H33N5O5S
Spectral Data
(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-1-(phenylsulfonyl)-4-(3-pyridinylcarbonyl)-2-piperazinecarboxamide 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 | 2455 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/16/2022 8:50:27 AM |
Identificators
| InChI | InChI=1S/C26H33N5O5S/c27-24(32)22(16-19-8-3-1-4-9-19)29-25(33)23-18-30(26(34)20-10-7-13-28-17-20)14-15-31(23)37(35,36)21-11-5-2-6-12-21/h2,5-7,10-13,17,19,22-23H,1,3-4,8-9,14-16,18H2,(H2,27,32)(H,29,33)/t22-,23-/m0/s1 |
| InChI Key | PKJLZUWKFLDJIR-GOTSBHOMSA-N |
| Canonical SMILES | C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CN=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT9-312612 |