(3S)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-phenyl-4-(2-thienylcarbonyl)-1,3-piperazinedicarboxamide
12064
Reference
(3S)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-phenyl-4-(2-thienylcarbonyl)-1,3-piperazinedicarboxamide Structure
Systematic / IUPAC Name: (3S)-3-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-phenyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide
ID: Reference12064
Other Names: NAT9-312576
Formula: C26H33N5O4S
Spectral Data
(3S)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-phenyl-4-(2-thienylcarbonyl)-1,3-piperazinedicarboxamide 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 | 2213 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/16/2022 8:47:15 AM |
Identificators
| InChI | InChI=1S/C26H33N5O4S/c27-23(32)20(16-18-8-3-1-4-9-18)29-24(33)21-17-30(26(35)28-19-10-5-2-6-11-19)13-14-31(21)25(34)22-12-7-15-36-22/h2,5-7,10-12,15,18,20-21H,1,3-4,8-9,13-14,16-17H2,(H2,27,32)(H,28,35)(H,29,33)/t20-,21-/m0/s1 |
| InChI Key | FMZAEINROSIHFA-SFTDATJTSA-N |
| Canonical SMILES | C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT9-312576 |