(2S)-N-(2-Chlorobenzyl)-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-[(2-chlorophenyl)methyl]propanamide

ID: Reference11467

Other Names: NAT5-397185

Formula: C25H37ClN2O4

Spectral Data

(2S)-N-(2-Chlorobenzyl)-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 2846
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/15/2022 2:52:41 PM
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Identificators

InChI InChI=1S/C25H37ClN2O4/c1-15(24(31)27-13-17-7-5-6-8-19(17)26)18-9-11-25(3)12-10-20(28-21(29)14-32-4)16(2)22(25)23(18)30/h5-8,15-16,18,20,22-23,30H,9-14H2,1-4H3,(H,27,31)(H,28,29)/t15-,16+,18?,20-,22+,23-,25-/m0/s1
InChI Key PKKCDUIOERLIKX-BKRDJOEVSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3Cl)O)C)NC(=O)COC
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Other Names NAT5-397185

In Other Databases

PubChem 45361501
ChemSpider 22805960