Nα-{[(2R)-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide
11884
Reference
Nα-{[(2R)-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide Structure
Systematic / IUPAC Name: (2R)-N-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
ID: Reference11884
Other Names: NAT9-312869
Formula: C28H26FN5O4S
Spectral Data
Nα-{[(2R)-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl}-D-tryptophanamide 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 | 1189 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/31/2022 11:35:32 AM |
Identificators
| InChI | InChI=1S/C28H26FN5O4S/c29-19-6-3-5-17(13-19)27(37)33-10-11-34(28(38)24-9-4-12-39-24)23(16-33)26(36)32-22(25(30)35)14-18-15-31-21-8-2-1-7-20(18)21/h1-9,12-13,15,22-23,31H,10-11,14,16H2,(H2,30,35)(H,32,36)/t22-,23-/m1/s1 |
| InChI Key | YOJSNKJNRUBQAK-DHIUTWEWSA-N |
| Canonical SMILES | C1CN(C(CN1C(=O)C2=CC(=CC=C2)F)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5=CC=CS5 |
| CAS | |
| Splash | |
| Other Names | NAT9-312869 |