(2-{[(1S,11aS)-7-(2-Fluorophenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]amino}-2-oxoethoxy)acetic acid
8947
Reference
(2-{[(1S,11aS)-7-(2-Fluorophenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]amino}-2-oxoethoxy)acetic acid Structure
Systematic / IUPAC Name: 2-[2-[[(6aS,7S)-2-(2-Fluorophenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]amino]-2-oxoethoxy]acetic acid
ID: Reference8947
Other Names: NAT3-211450
Formula: C22H20FN3O6
Spectral Data
(2-{[(1S,11aS)-7-(2-Fluorophenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]amino}-2-oxoethoxy)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 FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 2214 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/21/2023 12:56:36 PM |
Identificators
| InChI | InChI=1S/C22H20FN3O6/c23-15-4-2-1-3-13(15)12-5-6-16-14(9-12)22(31)26-8-7-17(20(26)21(30)25-16)24-18(27)10-32-11-19(28)29/h1-6,9,17,20H,7-8,10-11H2,(H,24,27)(H,25,30)(H,28,29)/t17-,20-/m0/s1 |
| InChI Key | IHKBGSKMDLNQFQ-PXNSSMCTSA-N |
| Canonical SMILES | C1CN2C(C1NC(=O)COCC(=O)O)C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4F |
| CAS | |
| Splash | |
| Other Names | NAT3-211450 |