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

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

ID: Reference10449

Other Names: NAT28-408097

Formula: C29H38N4O3

Spectral Data

2-[(1S,4S,5S)-4-({[(4-Acetylphenyl)carbamoyl]amino}methyl)-5-isopropyl-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 3986
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/14/2021 7:36:28 AM
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Identificators

InChI InChI=1S/C29H38N4O3/c1-19(2)27-14-24(15-28(35)33(5)18-22-7-6-12-30-16-22)20(3)13-25(27)17-31-29(36)32-26-10-8-23(9-11-26)21(4)34/h6-13,16,19,24-25,27H,14-15,17-18H2,1-5H3,(H2,31,32,36)/t24-,25-,27-/m0/s1
InChI Key NCZHCBWHEQEROY-KLJDGLGGSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N(C)CC2=CN=CC=C2)C(C)C)CNC(=O)NC3=CC=C(C=C3)C(=O)C
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Other Names NAT28-408097

In Other Databases

ChemSpider 22937261
PubChem 38029190