[(4S,4aR,7R,8R,8aS)-2-[(Cyclohexylcarbonyl)amino]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]acetic acid

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Systematic / IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-2-(Cyclohexanecarbonylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetic acid

ID: Reference11413

Other Names: NAT8-263913

Formula: C23H34N2O5S

Spectral Data

[(4S,4aR,7R,8R,8aS)-2-[(Cyclohexylcarbonyl)amino]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl]acetic acid 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 1419
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/26/2022 7:49:43 AM
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Identificators

InChI InChI=1S/C23H34N2O5S/c1-22-9-8-17(27)23(2,12-26)16(22)11-15-19(14(22)10-18(28)29)24-21(31-15)25-20(30)13-6-4-3-5-7-13/h13-14,16-17,26-27H,3-12H2,1-2H3,(H,28,29)(H,24,25,30)/t14-,16+,17-,22+,23+/m1/s1
InChI Key FSWORARVMAVVHT-CUBWWMDSSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)O)N=C(S3)NC(=O)C4CCCCC4)(C)CO)O
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Other Names NAT8-263913

In Other Databases

PubChem 11882971
ChemSpider 10057299