N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-3-methoxypropanamide

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Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[2-[(4-Cyanophenyl)methylamino]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-3-methoxypropanamide

ID: Reference13154

Other Names: NAT28-408356

Formula: C25H35N3O3

Spectral Data

N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-3-methoxypropanamide 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 3085
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/24/2024 3:48:56 PM
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Identificators

InChI InChI=1S/C25H35N3O3/c1-17(2)23-12-21(18(3)11-22(23)16-28-24(29)9-10-31-4)13-25(30)27-15-20-7-5-19(14-26)6-8-20/h5-8,11,17,21-23H,9-10,12-13,15-16H2,1-4H3,(H,27,30)(H,28,29)/t21-,22-,23-/m0/s1
InChI Key STQLXKQMWZYICQ-VABKMULXSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)CCOC
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Other Names NAT28-408356

In Other Databases

PubChem 38029350
ChemSpider 22937284