5-({[(1S,4S,6S)-6-Isopropyl-4-{[5-(methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}amino)-5-oxopentanoic acid

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Systematic / IUPAC Name: 5-[[(1S,4S,6S)-4-[(6-Methoxycarbonyl-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-5-oxopentanoic acid

ID: Reference11194

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(4-carboxy-1-oxobutyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, 5-methyl ester;
NAT28-553886

Formula: C26H35N3O5

Spectral Data

5-({[(1S,4S,6S)-6-Isopropyl-4-{[5-(methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}amino)-5-oxopentanoic acid 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 2772
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/7/2022 9:36:32 AM
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Identificators

InChI InChI=1S/C26H35N3O5/c1-15(2)20-11-18(16(3)10-19(20)14-27-24(30)6-5-7-25(31)32)13-23-28-21-9-8-17(26(33)34-4)12-22(21)29-23/h8-10,12,15,18-20H,5-7,11,13-14H2,1-4H3,(H,27,30)(H,28,29)(H,31,32)/t18-,19-,20-/m0/s1
InChI Key HCFODIGBUSFTLI-UFYCRDLUSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC(=O)CCCC(=O)O
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Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(4-carboxy-1-oxobutyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, 5-methyl ester;
NAT28-553886

In Other Databases

ChemSpider 29849762
PubChem 71693206