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

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

ID: Reference10444

Other Names: NAT28-405715

Formula: C26H33FN4O2

Spectral Data

2-[(1S,4S,5S)-4-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-5-isopropyl-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 1595
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/6/2021 12:55:07 PM
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Identificators

InChI InChI=1S/C26H33FN4O2/c1-17(2)24-11-20(12-25(32)29-15-19-6-5-9-28-14-19)18(3)10-21(24)16-30-26(33)31-23-8-4-7-22(27)13-23/h4-10,13-14,17,20-21,24H,11-12,15-16H2,1-3H3,(H,29,32)(H2,30,31,33)/t20-,21-,24-/m0/s1
InChI Key KZEILSJLYHDWOH-HFMPRLQTSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)NC3=CC(=CC=C3)F
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Other Names NAT28-405715

In Other Databases

PubChem 38028485
ChemSpider 22937169