2-Methoxy-N-{(3aS,5aR,7S,10aS)-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl}acetamide
11992
Reference
2-Methoxy-N-{(3aS,5aR,7S,10aS)-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl}acetamide Structure
Systematic / IUPAC Name: 2-Methoxy-N-[(3S,7S,10R,12S)-4-(1-methylpyrrole-2-carbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]acetamide
ID: Reference11992
Other Names: NAT3-188112
Formula: C19H25N5O5
Spectral Data
2-Methoxy-N-{(3aS,5aR,7S,10aS)-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl}acetamide 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 | 1235 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/25/2022 5:11:00 PM |
Identificators
| InChI | InChI=1S/C19H25N5O5/c1-22-6-3-4-13(22)18(27)23-7-5-12-16(23)19(28)24-9-11(20-15(25)10-29-2)8-14(24)17(26)21-12/h3-4,6,11-12,14,16H,5,7-10H2,1-2H3,(H,20,25)(H,21,26)/t11-,12-,14+,16-/m0/s1 |
| InChI Key | IMPAXMRNKAVJMH-GMZLATJGSA-N |
| Canonical SMILES | CN1C=CC=C1C(=O)N2CCC3C2C(=O)N4CC(CC4C(=O)N3)NC(=O)COC |
| CAS | |
| Splash | |
| Other Names | NAT3-188112 |