2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)carbamoyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide

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Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[[(4-Methoxyphenyl)carbamoylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide

ID: Reference10428

Other Names: NAT28-405708

Formula: C27H36N4O3

Spectral Data

2-[(1S,4S,5S)-5-Isopropyl-4-({[(4-methoxyphenyl)carbamoyl]amino}methyl)-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide 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 1335
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2021 8:25:48 AM
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Identificators

InChI InChI=1S/C27H36N4O3/c1-18(2)25-13-21(14-26(32)29-16-20-6-5-11-28-15-20)19(3)12-22(25)17-30-27(33)31-23-7-9-24(34-4)10-8-23/h5-12,15,18,21-22,25H,13-14,16-17H2,1-4H3,(H,29,32)(H2,30,31,33)/t21-,22-,25-/m0/s1
InChI Key IWXCLESLVJZVLW-HWBMXIPRSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)NC3=CC=C(C=C3)OC
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Other Names NAT28-405708

In Other Databases

PubChem 38028470
ChemSpider 22937167