N-[(4S,4aR,7R,8R,8aS)-4-[2-(Benzylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-3,3-dimethylbutanamide

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

ID: Reference11922

Other Names: NAT8-258805

Formula: C29H41N3O4S

Spectral Data

N-[(4S,4aR,7R,8R,8aS)-4-[2-(Benzylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl]-3,3-dimethylbutanamide 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 1438
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2022 12:09:58 PM
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Identificators

InChI InChI=1S/C29H41N3O4S/c1-27(2,3)15-24(36)31-26-32-25-19(13-23(35)30-16-18-9-7-6-8-10-18)28(4)12-11-22(34)29(5,17-33)21(28)14-20(25)37-26/h6-10,19,21-22,33-34H,11-17H2,1-5H3,(H,30,35)(H,31,32,36)/t19-,21+,22-,28+,29+/m1/s1
InChI Key DKXMSDWJJGSVIA-ZEHZBVEQSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CC=C4)N=C(S3)NC(=O)CC(C)(C)C)(C)CO)O
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Other Names NAT8-258805

In Other Databases

PubChem 11867047
ChemSpider 10041380