N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamide

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

ID: Reference11414

Other Names: NAT8-283499

Formula: C30H43N3O4S

Spectral Data

N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]hexanamide 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 1149
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/26/2022 7:59:56 AM
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Identificators

InChI InChI=1S/C30H43N3O4S/c1-5-6-8-13-25(36)32-28-33-27-21(16-26(37)31-19(2)20-11-9-7-10-12-20)29(3)15-14-24(35)30(4,18-34)23(29)17-22(27)38-28/h7,9-12,19,21,23-24,34-35H,5-6,8,13-18H2,1-4H3,(H,31,37)(H,32,33,36)/t19-,21-,23+,24-,29+,30+/m1/s1
InChI Key XKMRTVQQUSTWDO-GLIZFMLBSA-N
Canonical SMILES CCCCCC(=O)NC1=NC2=C(S1)CC3C(C2CC(=O)NC(C)C4=CC=CC=C4)(CCC(C3(C)CO)O)C
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Other Names NAT8-283499

In Other Databases

ChemSpider 10059425
PubChem 11885097