N-[(4S,4aR,7R,8R,8aS)-4-[2-(Cyclohexylamino)-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-(Cyclohexylamino)-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: Reference11924

Other Names: NAT8-264142

Formula: C29H38FN3O4S

Spectral Data

N-[(4S,4aR,7R,8R,8aS)-4-[2-(Cyclohexylamino)-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 949
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2022 12:25:00 PM
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Identificators

InChI InChI=1S/C29H38FN3O4S/c1-28-13-12-23(35)29(2,16-34)22(28)15-21-25(20(28)14-24(36)31-19-6-4-3-5-7-19)32-27(38-21)33-26(37)17-8-10-18(30)11-9-17/h8-11,19-20,22-23,34-35H,3-7,12-16H2,1-2H3,(H,31,36)(H,32,33,37)/t20-,22+,23-,28+,29+/m1/s1
InChI Key JTKNHSREXMDSGT-RUMONJKUSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)NC4CCCCC4)N=C(S3)NC(=O)C5=CC=C(C=C5)F)(C)CO)O
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Other Names NAT8-264142

In Other Databases

PubChem 44716858
ChemSpider 21388712