({2-[(1R,9S)-3-(4-Methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl}sulfanyl)acetic acid
13130
Reference
({2-[(1R,9S)-3-(4-Methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl}sulfanyl)acetic acid Structure
Systematic / IUPAC Name: 2-[2-[(1R,9S)-3-(4-Methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]sulfanylacetic acid
ID: Reference13130
Other Names: NAT11-287384
Formula: C22H24N2O5S
Spectral Data
({2-[(1R,9S)-3-(4-Methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl}sulfanyl)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 | 1911 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/9/2024 12:04:50 PM |
Identificators
| InChI | InChI=1S/C22H24N2O5S/c1-29-17-4-2-15(3-5-17)18-6-7-19(25)24-10-14-8-16(22(18)24)11-23(9-14)20(26)12-30-13-21(27)28/h2-7,14,16H,8-13H2,1H3,(H,27,28)/t14-,16+/m0/s1 |
| InChI Key | NYFAMPNZLYLMKZ-GOEBONIOSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C2=C3C4CC(CN(C4)C(=O)CSCC(=O)O)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-287384 |