2-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(3-pyridinyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-[(1R)-1-phenylethyl]acetamide

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Systematic / IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-pyridin-3-yl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-[(1R)-1-phenylethyl]acetamide

ID: Reference8788

Other Names: Naphtho[2,3-d]thiazole-4-acetamide, 4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-N-[(1R)-1-phenylethyl]-2-(3-pyridinyl)-, (4S,4aR,7R,8R,8aS)-;
NAT8-304611

Formula: C29H35N3O3S

Spectral Data

2-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(3-pyridinyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]-N-[(1R)-1-phenylethyl]acetamide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 140
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 7/23/2019 10:17:15 AM
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Identificators

InChI InChI=1S/C29H35N3O3S/c1-18(19-8-5-4-6-9-19)31-25(35)14-21-26-22(36-27(32-26)20-10-7-13-30-16-20)15-23-28(21,2)12-11-24(34)29(23,3)17-33/h4-10,13,16,18,21,23-24,33-34H,11-12,14-15,17H2,1-3H3,(H,31,35)/t18-,21-,23+,24-,28+,29+/m1/s1
InChI Key LZLZXASCHMCHLP-WTRSAAFISA-N
Canonical SMILES CC(C1=CC=CC=C1)NC(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)C5=CN=CC=C5
CAS
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Other Names Naphtho[2,3-d]thiazole-4-acetamide, 4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-N-[(1R)-1-phenylethyl]-2-(3-pyridinyl)-, (4S,4aR,7R,8R,8aS)-;
NAT8-304611

In Other Databases

PubChem 7156507
ChemSpider 5495983