N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-morpholinyl)-2-oxoethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}cyclohexanecarboxamide

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

ID: Reference13099

Other Names: NAT8-263893

Formula: C27H41N3O5S

Spectral Data

N-{(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-morpholinyl)-2-oxoethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}cyclohexanecarboxamide 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 1265
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/12/2024 10:09:48 AM
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Identificators

InChI InChI=1S/C27H41N3O5S/c1-26-9-8-21(32)27(2,16-31)20(26)15-19-23(18(26)14-22(33)30-10-12-35-13-11-30)28-25(36-19)29-24(34)17-6-4-3-5-7-17/h17-18,20-21,31-32H,3-16H2,1-2H3,(H,28,29,34)/t18-,20+,21-,26+,27+/m1/s1
InChI Key LTYJZDGMCJPWJC-BWSFKYGTSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)N4CCOCC4)N=C(S3)NC(=O)C5CCCCC5)(C)CO)O
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Other Names NAT8-263893

In Other Databases

PubChem 11882961
ChemSpider 10057289