N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]cyclohexanecarboxamide

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Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]cyclohexanecarboxamide

ID: Reference12783

Other Names: NAT5-396818

Formula: C28H43N3O3

Spectral Data

N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-pyridinylmethyl)amino]-2-propanyl}decahydro-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 255
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/26/2023 8:56:11 AM
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Identificators

InChI InChI=1S/C28H43N3O3/c1-18(26(33)30-17-21-11-7-8-16-29-21)22-12-14-28(3)15-13-23(19(2)24(28)25(22)32)31-27(34)20-9-5-4-6-10-20/h7-8,11,16,18-20,22-25,32H,4-6,9-10,12-15,17H2,1-3H3,(H,30,33)(H,31,34)/t18-,19+,22?,23-,24+,25-,28-/m0/s1
InChI Key NPUWURZQDBKWRG-LIXWPVDFSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=N3)O)C)NC(=O)C4CCCCC4
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Other Names NAT5-396818

In Other Databases

ChemSpider 22805921
PubChem 45361464