(2R)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-2-piperazinecarboxamide
13110
Reference
(2R)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-2-piperazinecarboxamide Structure
Systematic / IUPAC Name: (2R)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
ID: Reference13110
Other Names: NAT9-312669
Formula: C26H31FN4O4S
Spectral Data
(2R)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-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 | 1330 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/19/2024 3:03:21 PM |
Identificators
| InChI | InChI=1S/C26H31FN4O4S/c27-19-9-4-8-18(15-19)25(34)30-11-12-31(26(35)22-10-5-13-36-22)21(16-30)24(33)29-20(23(28)32)14-17-6-2-1-3-7-17/h4-5,8-10,13,15,17,20-21H,1-3,6-7,11-12,14,16H2,(H2,28,32)(H,29,33)/t20-,21+/m0/s1 |
| InChI Key | FMMLYFJZOLWFAY-LEWJYISDSA-N |
| Canonical SMILES | C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F |
| CAS | |
| Splash | |
| Other Names | NAT9-312669 |