Systematic / IUPAC Name: (3R,4R)-N-Benzyl-4-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]azepane-1-carboxamide
ID: Reference9261
Other Names:
1H-Azepine-1-carboxamide, hexahydro-4-hydroxy-3-[[4-(phenylmethoxy)benzoyl]amino]-N-(phenylmethyl)-, (3R,4R)-;
NAT10-367721
Formula: C28H31N3O4
(3R,4R)-N-Benzyl-3-{[4-(benzyloxy)benzoyl]amino}-4-hydroxy-1-azepanecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 2 |
No. of Spectra | 3979 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 1/10/2020 2:00:07 PM |
InChI | InChI=1S/C28H31N3O4/c32-26-12-7-17-31(28(34)29-18-21-8-3-1-4-9-21)19-25(26)30-27(33)23-13-15-24(16-14-23)35-20-22-10-5-2-6-11-22/h1-6,8-11,13-16,25-26,32H,7,12,17-20H2,(H,29,34)(H,30,33)/t25-,26-/m1/s1 |
InChI Key | RLUCNDRQOJIYOL-CLJLJLNGSA-N |
Canonical SMILES | C1CC(C(CN(C1)C(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)O |
CAS | |
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Other Names |
1H-Azepine-1-carboxamide, hexahydro-4-hydroxy-3-[[4-(phenylmethoxy)benzoyl]amino]-N-(phenylmethyl)-, (3R,4R)-; NAT10-367721 |