N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(3-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-4-methoxybenzamide

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Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide

ID: Reference11438

Other Names: NAT5-396561

Formula: C29H39N3O4

Spectral Data

N-[(1S,2S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-{(2S)-1-oxo-1-[(3-pyridinylmethyl)amino]-2-propanyl}decahydro-2-naphthalenyl]-4-methoxybenzamide 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 2437
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/31/2022 1:29:12 PM
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Identificators

InChI InChI=1S/C29H39N3O4/c1-18(27(34)31-17-20-6-5-15-30-16-20)23-11-13-29(3)14-12-24(19(2)25(29)26(23)33)32-28(35)21-7-9-22(36-4)10-8-21/h5-10,15-16,18-19,23-26,33H,11-14,17H2,1-4H3,(H,31,34)(H,32,35)/t18-,19+,23?,24-,25+,26-,29-/m0/s1
InChI Key QEAYPLSSCGFPTN-VQSTVDMASA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CN=CC=C3)O)C)NC(=O)C4=CC=C(C=C4)OC
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Other Names NAT5-396561

In Other Databases

PubChem 45361388
ChemSpider 22805841