(2S)-N-Cyclopropyl-2-[(4S,4aS,5S,8aS)-5-hydroxy-4,8a-dimethyl-2-(methylamino)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-6-yl]propanamide

Systematic / IUPAC Name: (2S)-2-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-2-(methylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-cyclopropylpropanamide

ID: Reference13054

Other Names: NAT5-256950

Formula: C20H31N3O2S

Spectral Data

(2S)-N-Cyclopropyl-2-[(4S,4aS,5S,8aS)-5-hydroxy-4,8a-dimethyl-2-(methylamino)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-6-yl]propanamide 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 424
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2024 1:11:59 PM
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Identificators

InChI InChI=1S/C20H31N3O2S/c1-10(18(25)22-12-5-6-12)13-7-8-20(3)9-14-16(23-19(21-4)26-14)11(2)15(20)17(13)24/h10-13,15,17,24H,5-9H2,1-4H3,(H,21,23)(H,22,25)/t10-,11-,13?,15+,17-,20-/m0/s1
InChI Key FXBYIZYYANCMKC-NEHQURBSSA-N
Canonical SMILES CC1C2C(C(CCC2(CC3=C1N=C(S3)NC)C)C(C)C(=O)NC4CC4)O
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Other Names NAT5-256950

In Other Databases

ChemSpider 21383800
PubChem 44716626