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

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

ID: Reference9328

Other Names: 1H-Azepine-1-carboxamide, 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]amino]-N-(4-fluorophenyl)hexahydro-4-hydroxy-, (3R,4R)-;
NAT10-368105

Formula: C26H29FN4O5

Spectral Data

(3R,4R)-3-({4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl}amino)-N-(4-fluorophenyl)-4-hydroxy-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 2
No. of Spectra 5279
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2020 8:25:58 AM
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Identificators

InChI InChI=1S/C26H29FN4O5/c1-16-22(17(2)36-30-16)15-35-21-11-5-18(6-12-21)25(33)29-23-14-31(13-3-4-24(23)32)26(34)28-20-9-7-19(27)8-10-20/h5-12,23-24,32H,3-4,13-15H2,1-2H3,(H,28,34)(H,29,33)/t23-,24-/m1/s1
InChI Key LDQNVGFGQCXZEV-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)F
CAS
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Other Names 1H-Azepine-1-carboxamide, 3-[[4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoyl]amino]-N-(4-fluorophenyl)hexahydro-4-hydroxy-, (3R,4R)-;
NAT10-368105

In Other Databases

PubChem 26742127
ChemSpider 21379944