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

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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-2-carboxamide

ID: Reference12165

Other Names: NAT5-397860

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]-2-pyridinecarboxamide 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 3102
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2023 9:44:38 AM
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Identificators

InChI InChI=1S/C26H35N3O3S/c1-16(24(31)28-15-18-7-6-14-33-18)19-9-11-26(3)12-10-20(17(2)22(26)23(19)30)29-25(32)21-8-4-5-13-27-21/h4-8,13-14,16-17,19-20,22-23,30H,9-12,15H2,1-3H3,(H,28,31)(H,29,32)/t16-,17+,19?,20-,22+,23-,26-/m0/s1
InChI Key UYFMDKBTNUORPF-YCHDLCTHSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CS3)O)C)NC(=O)C4=CC=CC=N4
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Other Names NAT5-397860

In Other Databases

ChemSpider 22937627
PubChem 45784418