(3R,4R)-3-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}amino)-4-hydroxy-N-[4-(trifluoromethoxy)phenyl]-1-azepanecarboxamide

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Systematic / IUPAC Name: (3R,4R)-3-[[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-4-hydroxy-N-[4-(trifluoromethoxy)phenyl]azepane-1-carboxamide

ID: Reference10117

Other Names: 1H-Azepine-1-carboxamide, 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]amino]hexahydro-4-hydroxy-N-[4-(trifluoromethoxy)phenyl]-, (3R,4R)-;
NAT10-368109

Formula: C27H29F3N4O6

Spectral Data

(3R,4R)-3-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}amino)-4-hydroxy-N-[4-(trifluoromethoxy)phenyl]-1-azepanecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1385
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/4/2020 10:41:05 AM
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Identificators

InChI InChI=1S/C27H29F3N4O6/c1-16-22(17(2)40-33-16)15-38-20-9-5-18(6-10-20)25(36)32-23-14-34(13-3-4-24(23)35)26(37)31-19-7-11-21(12-8-19)39-27(28,29)30/h5-12,23-24,35H,3-4,13-15H2,1-2H3,(H,31,37)(H,32,36)/t23-,24-/m1/s1
InChI Key WDEHNICXMYBXPQ-DNQXCXABSA-N
Canonical SMILES CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NC3CN(CCCC3O)C(=O)NC4=CC=C(C=C4)OC(F)(F)F
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Other Names 1H-Azepine-1-carboxamide, 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]amino]hexahydro-4-hydroxy-N-[4-(trifluoromethoxy)phenyl]-, (3R,4R)-;
NAT10-368109

In Other Databases

PubChem 45360397
ChemSpider 21379947