N-Allyl-2-{(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(phenoxyacetyl)amino]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl}-N-methylacetamide

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Systematic / IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-7-Hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-methyl-N-prop-2-enylacetamide

ID: Reference12297

Other Names: NAT8-263851

Formula: C28H37N3O5S

Spectral Data

N-Allyl-2-{(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(phenoxyacetyl)amino]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-4-yl}-N-methylacetamide 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 780
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2023 1:21:06 PM
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Identificators

InChI InChI=1S/C28H37N3O5S/c1-5-13-31(4)24(35)14-19-25-20(15-21-27(19,2)12-11-22(33)28(21,3)17-32)37-26(30-25)29-23(34)16-36-18-9-7-6-8-10-18/h5-10,19,21-22,32-33H,1,11-17H2,2-4H3,(H,29,30,34)/t19-,21+,22-,27+,28+/m1/s1
InChI Key HQUWPWJMYPKUIE-JEPPUSMKSA-N
Canonical SMILES CC12CCC(C(C1CC3=C(C2CC(=O)N(C)CC=C)N=C(S3)NC(=O)COC4=CC=CC=C4)(C)CO)O
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Other Names NAT8-263851

In Other Databases

ChemSpider 10057278
PubChem 11882950