Oxo{(1R,9S)-6-oxo-5-[(phenylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}acetic acid
12282
Reference
Oxo{(1R,9S)-6-oxo-5-[(phenylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}acetic acid Structure
Systematic / IUPAC Name: 2-[(1R,9S)-5-(Benzenesulfonamido)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoacetic acid
ID: Reference12282
Other Names: NAT11-274887
Formula: C19H19N3O6S
Spectral Data
Oxo{(1R,9S)-6-oxo-5-[(phenylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}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 | 1780 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/20/2023 12:19:12 PM |
Identificators
| InChI | InChI=1S/C19H19N3O6S/c23-17-15(20-29(27,28)14-4-2-1-3-5-14)6-7-16-13-8-12(10-22(16)17)9-21(11-13)18(24)19(25)26/h1-7,12-13,20H,8-11H2,(H,25,26)/t12-,13+/m0/s1 |
| InChI Key | UIRJHFNCJWSCTI-QWHCGFSZSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=CC=C4)C(=O)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT11-274887 |