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

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

ID: Reference10395

Other Names: NAT28-408086

Formula: C24H38N4O2

Spectral Data

2-[(1S,4S,5S)-5-Isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]-N-methyl-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 2
No. of Spectra 2452
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2021 11:06:07 AM
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Identificators

InChI InChI=1S/C24H38N4O2/c1-16(2)22-11-20(12-23(29)28(6)15-19-8-7-9-25-13-19)18(5)10-21(22)14-26-24(30)27-17(3)4/h7-10,13,16-17,20-22H,11-12,14-15H2,1-6H3,(H2,26,27,30)/t20-,21-,22-/m0/s1
InChI Key VPNQOHLYUFTHNM-FKBYEOEOSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N(C)CC2=CN=CC=C2)C(C)C)CNC(=O)NC(C)C
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Other Names NAT28-408086

In Other Databases

PubChem 38029159
ChemSpider 22937257