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

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

ID: Reference12846

Other Names: NAT8-264194

Formula: C27H32N4O5S

Spectral Data

N-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-{2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-2-furamide 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 10/30/2023 10:16:39 AM
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Identificators

InChI InChI=1S/C27H32N4O5S/c1-26-8-7-21(33)27(2,15-32)20(26)12-19-23(30-25(37-19)31-24(35)18-6-4-10-36-18)17(26)11-22(34)29-14-16-5-3-9-28-13-16/h3-6,9-10,13,17,20-21,32-33H,7-8,11-12,14-15H2,1-2H3,(H,29,34)(H,30,31,35)/t17-,20+,21-,26+,27+/m1/s1
InChI Key PLAJPHUHYXDQBS-YFXFORSBSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CN=CC=C4)N=C(S3)NC(=O)C5=CC=CO5)(C)CO)O
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Other Names NAT8-264194

In Other Databases

ChemSpider 10041623
PubChem 11867290