(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenoxyacetyl)amino]decahydro-2-naphthalenyl}-N-(2-pyridinylmethyl)propanamide

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Systematic / IUPAC Name: (2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(2-phenoxyacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(pyridin-2-ylmethyl)propanamide

ID: Reference11798

Other Names: NAT5-397377

Formula: C29H39N3O4

Spectral Data

(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenoxyacetyl)amino]decahydro-2-naphthalenyl}-N-(2-pyridinylmethyl)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 1304
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/30/2022 7:50:24 AM
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Identificators

InChI InChI=1S/C29H39N3O4/c1-19(28(35)31-17-21-9-7-8-16-30-21)23-12-14-29(3)15-13-24(20(2)26(29)27(23)34)32-25(33)18-36-22-10-5-4-6-11-22/h4-11,16,19-20,23-24,26-27,34H,12-15,17-18H2,1-3H3,(H,31,35)(H,32,33)/t19-,20+,23?,24-,26+,27-,29-/m0/s1
InChI Key VMALNFUDFJHSTM-WBFVDTNBSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=N3)O)C)NC(=O)COC4=CC=CC=C4
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Other Names NAT5-397377

In Other Databases

ChemSpider 22805997
PubChem 45361536