Methyl 2-{[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(propylcarbamoyl)amino]methyl}-2-cyclohexen-1-yl]methyl}-1H-benzimidazole-5-carboxylate

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Systematic / IUPAC Name: Methyl 2-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propylcarbamoylamino)methyl]cyclohex-2-en-1-yl]methyl]-3H-benzimidazole-5-carboxylate

ID: Reference11175

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[[(propylamino)carbonyl]amino]methyl]-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553832

Formula: C25H36N4O3

Spectral Data

Methyl 2-{[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(propylcarbamoyl)amino]methyl}-2-cyclohexen-1-yl]methyl}-1H-benzimidazole-5-carboxylate 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 1854
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2022 11:46:03 AM
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Identificators

InChI InChI=1S/C25H36N4O3/c1-6-9-26-25(31)27-14-19-10-16(4)18(11-20(19)15(2)3)13-23-28-21-8-7-17(24(30)32-5)12-22(21)29-23/h7-8,10,12,15,18-20H,6,9,11,13-14H2,1-5H3,(H,28,29)(H2,26,27,31)/t18-,19-,20-/m0/s1
InChI Key LFJATNFLFLHBGK-UFYCRDLUSA-N
Canonical SMILES CCCNC(=O)NCC1C=C(C(CC1C(C)C)CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C
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Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-2-methyl-5-(1-methylethyl)-4-[[[(propylamino)carbonyl]amino]methyl]-2-cyclohexen-1-yl]methyl]-, methyl ester;
NAT28-553832

In Other Databases

ChemSpider 29849731
PubChem 71693177