3-({(1R,9S)-6-Oxo-5-[(phenoxyacetyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzoic acid
13174
Reference
3-({(1R,9S)-6-Oxo-5-[(phenoxyacetyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzoic acid Structure
Systematic / IUPAC Name: 3-[(1R,9S)-6-Oxo-5-[(2-phenoxyacetyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzoic acid
ID: Reference13174
Other Names: NAT11-279901
Formula: C27H25N3O6
Spectral Data
3-({(1R,9S)-6-Oxo-5-[(phenoxyacetyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}carbonyl)benzoic 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 | 5805 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/6/2024 9:13:12 AM |
Identificators
| InChI | InChI=1S/C27H25N3O6/c31-24(16-36-21-7-2-1-3-8-21)28-22-9-10-23-20-11-17(14-30(23)26(22)33)13-29(15-20)25(32)18-5-4-6-19(12-18)27(34)35/h1-10,12,17,20H,11,13-16H2,(H,28,31)(H,34,35)/t17-,20+/m0/s1 |
| InChI Key | AMKDAUYSRMMUPR-FXAWDEMLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)COC4=CC=CC=C4)C(=O)C5=CC(=CC=C5)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT11-279901 |