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

ID: Reference11845

Other Names: NAT8-283436

Formula: C22H34N2O5S

Spectral Data

[(4S,4aR,7R,8R,8aS)-2-[(3,3-Dimethylbutanoyl)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 1105
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/10/2022 2:24:27 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H34N2O5S/c1-20(2,3)10-16(27)23-19-24-18-12(8-17(28)29)21(4)7-6-15(26)22(5,11-25)14(21)9-13(18)30-19/h12,14-15,25-26H,6-11H2,1-5H3,(H,28,29)(H,23,24,27)/t12-,14+,15-,21+,22+/m1/s1
InChI Key VZHRJJSDAKIMQW-DPNDITPXSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)O)N=C(S3)NC(=O)CC(C)(C)C)(C)CO)O
CAS
Splash
Other Names NAT8-283436

In Other Databases

ChemSpider 10059379
PubChem 11885051