N-[(4S,4aR,7R,8R,8aS)-4-{2-[Benzyl(methyl)amino]-2-oxoethyl}-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-fluorobenzamide

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Systematic / IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-[Benzyl(methyl)amino]-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-fluorobenzamide

ID: Reference11861

Other Names: NAT8-258844

Formula: C31H36FN3O4S

Spectral Data

N-[(4S,4aR,7R,8R,8aS)-4-{2-[Benzyl(methyl)amino]-2-oxoethyl}-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-4-fluorobenzamide 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 1137
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/17/2022 8:41:26 AM
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Identificators

InChI InChI=1S/C31H36FN3O4S/c1-30-14-13-25(37)31(2,18-36)24(30)16-23-27(22(30)15-26(38)35(3)17-19-7-5-4-6-8-19)33-29(40-23)34-28(39)20-9-11-21(32)12-10-20/h4-12,22,24-25,36-37H,13-18H2,1-3H3,(H,33,34,39)/t22-,24+,25-,30+,31+/m1/s1
InChI Key CAKNYTSJFWBEID-IAKJNDNSSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)F)(C)CO)O
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Other Names NAT8-258844

In Other Databases

PubChem 11882863
ChemSpider 10057191