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

ID: Reference13101

Other Names: NAT8-264123

Formula: C23H26F2N2O5S

Spectral Data

[(4S,4aR,7R,8R,8aS)-2-[(2,6-Difluorobenzoyl)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 1090
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/12/2024 10:13:19 AM
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Identificators

InChI InChI=1S/C23H26F2N2O5S/c1-22-7-6-16(29)23(2,10-28)15(22)9-14-19(11(22)8-17(30)31)26-21(33-14)27-20(32)18-12(24)4-3-5-13(18)25/h3-5,11,15-16,28-29H,6-10H2,1-2H3,(H,30,31)(H,26,27,32)/t11-,15+,16-,22+,23+/m1/s1
InChI Key XVTJOVUNELDWDL-BVJIPAKMSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)O)N=C(S3)NC(=O)C4=C(C=CC=C4F)F)(C)CO)O
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Other Names NAT8-264123

In Other Databases

PubChem 11883055
ChemSpider 10057383