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

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Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-[(3,5-Difluorophenyl)methylamino]-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]cyclohexanecarboxamide

ID: Reference12119

Other Names: NAT5-396829

Formula: C29H42F2N2O3

Spectral Data

N-[(1S,2S,8S,8aS)-7-{(2S)-1-[(3,5-Difluorobenzyl)amino]-1-oxo-2-propanyl}-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl]cyclohexanecarboxamide 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 3145
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/12/2023 9:45:09 AM
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Identificators

InChI InChI=1S/C29H42F2N2O3/c1-17(27(35)32-16-19-13-21(30)15-22(31)14-19)23-9-11-29(3)12-10-24(18(2)25(29)26(23)34)33-28(36)20-7-5-4-6-8-20/h13-15,17-18,20,23-26,34H,4-12,16H2,1-3H3,(H,32,35)(H,33,36)/t17-,18+,23?,24-,25+,26-,29-/m0/s1
InChI Key ORXFJFYURVROLV-ONLOYGCFSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC(=CC(=C3)F)F)O)C)NC(=O)C4CCCCC4
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Other Names NAT5-396829

In Other Databases

PubChem 45361469
ChemSpider 22805926