N-{(3aS,5aR,7S,10aS)-1-[(2-Methoxyphenyl)acetyl]-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl}-2-(methylsulfanyl)acetamide
11991
Reference
N-{(3aS,5aR,7S,10aS)-1-[(2-Methoxyphenyl)acetyl]-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl}-2-(methylsulfanyl)acetamide Structure
Systematic / IUPAC Name: N-[(3S,7S,10R,12S)-4-[2-(2-Methoxyphenyl)acetyl]-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methylsulfanylacetamide
ID: Reference11991
Other Names: NAT3-188263
Formula: C22H28N4O5S
Spectral Data
N-{(3aS,5aR,7S,10aS)-1-[(2-Methoxyphenyl)acetyl]-5,10-dioxododecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl}-2-(methylsulfanyl)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 | 959 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/25/2022 5:09:46 PM |
Identificators
| InChI | InChI=1S/C22H28N4O5S/c1-31-17-6-4-3-5-13(17)9-19(28)25-8-7-15-20(25)22(30)26-11-14(23-18(27)12-32-2)10-16(26)21(29)24-15/h3-6,14-16,20H,7-12H2,1-2H3,(H,23,27)(H,24,29)/t14-,15-,16+,20-/m0/s1 |
| InChI Key | KYJSIUBHHYHJCH-MFCZKXCZSA-N |
| Canonical SMILES | COC1=CC=CC=C1CC(=O)N2CCC3C2C(=O)N4CC(CC4C(=O)N3)NC(=O)CSC |
| CAS | |
| Splash | |
| Other Names | NAT3-188263 |