(3R)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(cyclohexylcarbonyl)-N1-isopropyl-1,3-piperazinedicarboxamide
12068
Reference
(3R)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(cyclohexylcarbonyl)-N1-isopropyl-1,3-piperazinedicarboxamide Structure
Systematic / IUPAC Name: (3R)-3-N-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
ID: Reference12068
Other Names: NAT9-312855
Formula: C27H38N6O4
Spectral Data
(3R)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-(cyclohexylcarbonyl)-N1-isopropyl-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 | 1846 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/16/2022 8:51:25 AM |
Identificators
| InChI | InChI=1S/C27H38N6O4/c1-17(2)30-27(37)32-12-13-33(26(36)18-8-4-3-5-9-18)23(16-32)25(35)31-22(24(28)34)14-19-15-29-21-11-7-6-10-20(19)21/h6-7,10-11,15,17-18,22-23,29H,3-5,8-9,12-14,16H2,1-2H3,(H2,28,34)(H,30,37)(H,31,35)/t22-,23-/m1/s1 |
| InChI Key | JPDAZLGCJIOMAW-DHIUTWEWSA-N |
| Canonical SMILES | CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4CCCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT9-312855 |