N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}isonicotinamide

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

ID: Reference11458

Other Names: NAT5-397745

Formula: C27H41N3O3

Spectral Data

N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}isonicotinamide 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 3064
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/10/2022 1:28:50 PM
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Identificators

InChI InChI=1S/C27H41N3O3/c1-17(25(32)29-20-7-5-4-6-8-20)21-9-13-27(3)14-10-22(18(2)23(27)24(21)31)30-26(33)19-11-15-28-16-12-19/h11-12,15-18,20-24,31H,4-10,13-14H2,1-3H3,(H,29,32)(H,30,33)/t17-,18+,21?,22-,23+,24-,27-/m0/s1
InChI Key NKDAPVLWVMXFGL-VZGQOTKXSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NC3CCCCC3)O)C)NC(=O)C4=CC=NC=C4
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Other Names NAT5-397745

In Other Databases

PubChem 45361559
ChemSpider 22806022