(3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-isopropyl-4-(phenylsulfonyl)-1,3-piperazinedicarboxamide
12066
Reference
(3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-isopropyl-4-(phenylsulfonyl)-1,3-piperazinedicarboxamide Structure
Systematic / IUPAC Name: (3R)-3-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
ID: Reference12066
Other Names: NAT9-312715
Formula: C24H37N5O5S
Spectral Data
(3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-isopropyl-4-(phenylsulfonyl)-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 | 2502 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/16/2022 8:49:02 AM |
Identificators
| InChI | InChI=1S/C24H37N5O5S/c1-17(2)26-24(32)28-13-14-29(35(33,34)19-11-7-4-8-12-19)21(16-28)23(31)27-20(22(25)30)15-18-9-5-3-6-10-18/h4,7-8,11-12,17-18,20-21H,3,5-6,9-10,13-16H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)/t20-,21+/m0/s1 |
| InChI Key | DSFXRUZLRFEWMG-LEWJYISDSA-N |
| Canonical SMILES | CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2CCCCC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT9-312715 |