[(1R,9S)-5-{[(4-Methylphenyl)sulfonyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl](oxo)acetic acid
13166
Reference
[(1R,9S)-5-{[(4-Methylphenyl)sulfonyl]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-[(4-Methylphenyl)sulfonylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoacetic acid
ID: Reference13166
Other Names: NAT11-274889
Formula: C20H21N3O6S
Spectral Data
[(1R,9S)-5-{[(4-Methylphenyl)sulfonyl]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 | 2180 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/31/2024 11:31:35 AM |
Identificators
| InChI | InChI=1S/C20H21N3O6S/c1-12-2-4-15(5-3-12)30(28,29)21-16-6-7-17-14-8-13(10-23(17)18(16)24)9-22(11-14)19(25)20(26)27/h2-7,13-14,21H,8-11H2,1H3,(H,26,27)/t13-,14+/m0/s1 |
| InChI Key | QFCLYOLHBPDLRV-UONOGXRCSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C(=O)O)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-274889 |