[(1R,9S)-5-{[(4-Methoxyphenyl)acetyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl](oxo)acetic acid
13164
Reference
[(1R,9S)-5-{[(4-Methoxyphenyl)acetyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl](oxo)acetic acid Structure
Systematic / IUPAC Name: 2-[(1R,9S)-5-[[2-(4-Methoxyphenyl)acetyl]amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoacetic acid
ID: Reference13164
Other Names: NAT11-274866
Formula: C22H23N3O6
Spectral Data
[(1R,9S)-5-{[(4-Methoxyphenyl)acetyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl](oxo)acetic acid 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 | 2 |
| No. of Spectra | 2870 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/31/2024 11:28:58 AM |
Identificators
| InChI | InChI=1S/C22H23N3O6/c1-31-16-4-2-13(3-5-16)9-19(26)23-17-6-7-18-15-8-14(11-25(18)20(17)27)10-24(12-15)21(28)22(29)30/h2-7,14-15H,8-12H2,1H3,(H,23,26)(H,29,30)/t14-,15+/m0/s1 |
| InChI Key | WDGOPBYOHRQIQK-LSDHHAIUSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)CC(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C(=O)O)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-274866 |