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

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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]pyridine-2-carboxamide

ID: Reference10438

Other Names: NAT28-408361

Formula: C27H32N4O2

Spectral Data

N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-2-pyridinecarboxamide 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 1032
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/6/2021 2:46:24 PM
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Identificators

InChI InChI=1S/C27H32N4O2/c1-18(2)24-13-22(14-26(32)30-16-21-9-7-20(15-28)8-10-21)19(3)12-23(24)17-31-27(33)25-6-4-5-11-29-25/h4-12,18,22-24H,13-14,16-17H2,1-3H3,(H,30,32)(H,31,33)/t22-,23-,24-/m0/s1
InChI Key ZMXSZUITFSBMGD-HJOGWXRNSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)C3=CC=CC=N3
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Other Names NAT28-408361

In Other Databases

ChemSpider 22937286
PubChem 38029363