(2S)-N-(3,5-Difluorobenzyl)-2-{(1S,7S,8S,8aS)-1-hydroxy-7-[(methoxyacetyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}propanamide

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Systematic / IUPAC Name: (2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-7-[(2-methoxyacetyl)amino]-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(3,5-difluorophenyl)methyl]propanamide

ID: Reference12161

Other Names: NAT5-397216

Formula: C25H36F2N2O4

Spectral Data

(2S)-N-(3,5-Difluorobenzyl)-2-{(1S,7S,8S,8aS)-1-hydroxy-7-[(methoxyacetyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}propanamide 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 3139
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2023 9:32:24 AM
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Identificators

InChI InChI=1S/C25H36F2N2O4/c1-14(24(32)28-12-16-9-17(26)11-18(27)10-16)19-5-7-25(3)8-6-20(29-21(30)13-33-4)15(2)22(25)23(19)31/h9-11,14-15,19-20,22-23,31H,5-8,12-13H2,1-4H3,(H,28,32)(H,29,30)/t14-,15+,19?,20-,22+,23-,25-/m0/s1
InChI Key DLEIHCAPCXBQFY-GDOPNRCISA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC(=CC(=C3)F)F)O)C)NC(=O)COC
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Other Names NAT5-397216

In Other Databases

ChemSpider 22937592
PubChem 45784363