3-Fluoro-N-[7-hydroxy-8-(hydroxymethyl)-4-{2-[(1-hydroxy-4-methyl-2-pentanyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide

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Systematic / IUPAC Name: 3-Fluoro-N-[7-hydroxy-8-(hydroxymethyl)-4-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]benzamide

ID: Reference8996

Other Names: Naphtho[2,3-d]thiazole-4-acetamide, 2-[(3-fluorobenzoyl)amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-N-[1-(hydroxymethyl)-3-methylbutyl]-4a,8-dimethyl-;
NAT8-264325

Formula: C29H40FN3O5S

Spectral Data

3-Fluoro-N-[7-hydroxy-8-(hydroxymethyl)-4-{2-[(1-hydroxy-4-methyl-2-pentanyl)amino]-2-oxoethyl}-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]benzamide 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 1336
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2019 12:09:02 PM
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Identificators

InChI InChI=1S/C29H40FN3O5S/c1-16(2)10-19(14-34)31-24(37)12-20-25-21(13-22-28(20,3)9-8-23(36)29(22,4)15-35)39-27(32-25)33-26(38)17-6-5-7-18(30)11-17/h5-7,11,16,19-20,22-23,34-36H,8-10,12-15H2,1-4H3,(H,31,37)(H,32,33,38)
InChI Key AMPABKJZNQEYRJ-UHFFFAOYSA-N
Canonical SMILES CC(C)CC(CO)NC(=O)CC1C2=C(CC3C1(CCC(C3(C)CO)O)C)SC(=N2)NC(=O)C4=CC(=CC=C4)F
CAS
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Other Names Naphtho[2,3-d]thiazole-4-acetamide, 2-[(3-fluorobenzoyl)amino]-4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-N-[1-(hydroxymethyl)-3-methylbutyl]-4a,8-dimethyl-;
NAT8-264325

In Other Databases

PubChem 3864332
ChemSpider 3089214