[(4S,4aR,7R,8R,8aS)-2-[(4-Fluorobenzoyl)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

enlarge

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

ID: Reference13102

Other Names: NAT8-264158

Formula: C23H27FN2O5S

Spectral Data

[(4S,4aR,7R,8R,8aS)-2-[(4-Fluorobenzoyl)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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1115
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/12/2024 10:14:48 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H27FN2O5S/c1-22-8-7-17(28)23(2,11-27)16(22)10-15-19(14(22)9-18(29)30)25-21(32-15)26-20(31)12-3-5-13(24)6-4-12/h3-6,14,16-17,27-28H,7-11H2,1-2H3,(H,29,30)(H,25,26,31)/t14-,16+,17-,22+,23+/m1/s1
InChI Key DMXGUMDZHNSWJP-CUBWWMDSSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)O)N=C(S3)NC(=O)C4=CC=C(C=C4)F)(C)CO)O
CAS
Splash
Other Names NAT8-264158

In Other Databases

ChemSpider 10057393
PubChem 11883065