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

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

ID: Reference11436

Other Names: NAT5-397774

Formula: C26H35N3O3S

Spectral Data

N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(2-thienylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]isonicotinamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3103
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/31/2022 1:13:28 PM
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Identificators

InChI InChI=1S/C26H35N3O3S/c1-16(24(31)28-15-19-5-4-14-33-19)20-6-10-26(3)11-7-21(17(2)22(26)23(20)30)29-25(32)18-8-12-27-13-9-18/h4-5,8-9,12-14,16-17,20-23,30H,6-7,10-11,15H2,1-3H3,(H,28,31)(H,29,32)/t16-,17+,20?,21-,22+,23-,26-/m0/s1
InChI Key CIVOVVGLKSDKEU-SNMRAVNMSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CS3)O)C)NC(=O)C4=CC=NC=C4
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Other Names NAT5-397774

In Other Databases

ChemSpider 22806038
PubChem 45361575