(2S)-2-[(1S,4aS,7S,8S,8aS)-7-(Ethylcarbamoylamino)-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(3,5-difluorophenyl)methyl]propanamide

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Systematic / IUPAC Name: (2S)-N-(3,5-Difluorobenzyl)-2-{(1S,7S,8S,8aS)-7-[(ethylcarbamoyl)amino]-1-hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl}propanamide

ID: Reference13331

Other Names: 2-Naphthaleneacetamide, N-[(3,5-difluorophenyl)methyl]-7-[[(ethylamino)carbonyl]amino]decahydro-1-hydroxy-α,4a,8-trimethyl-, (alphas,1S,7S,8S,8aS)-;
NAT5-397947

Formula: C25H37F2N3O3

Spectral Data

(2S)-2-[(1S,4aS,7S,8S,8aS)-7-(Ethylcarbamoylamino)-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(3,5-difluorophenyl)methyl]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 3380
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/31/2025 12:04:51 PM
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Identificators

InChI InChI=1S/C25H37F2N3O3/c1-5-28-24(33)30-20-7-9-25(4)8-6-19(22(31)21(25)15(20)3)14(2)23(32)29-13-16-10-17(26)12-18(27)11-16/h10-12,14-15,19-22,31H,5-9,13H2,1-4H3,(H,29,32)(H2,28,30,33)/t14-,15+,19?,20-,21+,22-,25-/m0/s1
InChI Key RDBVGLHGYXTTIF-HJBJOOPUSA-N
Canonical SMILES CCNC(=O)NC1CCC2(CCC(C(C2C1C)O)C(C)C(=O)NCC3=CC(=CC(=C3)F)F)C
CAS
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Other Names 2-Naphthaleneacetamide, N-[(3,5-difluorophenyl)methyl]-7-[[(ethylamino)carbonyl]amino]decahydro-1-hydroxy-α,4a,8-trimethyl-, (alphas,1S,7S,8S,8aS)-;
NAT5-397947

In Other Databases

ChemSpider 22937636
PubChem 45784427