[(1R,9S)-5-{[(2-Methoxyphenyl)carbamoyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl](oxo)acetic acid
12283
Reference
[(1R,9S)-5-{[(2-Methoxyphenyl)carbamoyl]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-Methoxyphenyl)carbamoylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoacetic acid
ID: Reference12283
Other Names: NAT11-281550
Formula: C21H22N4O6
Spectral Data
[(1R,9S)-5-{[(2-Methoxyphenyl)carbamoyl]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 | 1 |
| No. of Spectra | 1880 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/20/2023 12:21:31 PM |
Identificators
| InChI | InChI=1S/C21H22N4O6/c1-31-17-5-3-2-4-14(17)22-21(30)23-15-6-7-16-13-8-12(10-25(16)18(15)26)9-24(11-13)19(27)20(28)29/h2-7,12-13H,8-11H2,1H3,(H,28,29)(H2,22,23,30)/t12-,13+/m0/s1 |
| InChI Key | HYQWRHRYDPSFFB-QWHCGFSZSA-N |
| Canonical SMILES | COC1=CC=CC=C1NC(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C(=O)O)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-281550 |