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

ID: Reference11142

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(4-carboxy-3,3-dimethyl-1-oxobutyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, 5-methyl ester;
NAT28-553892

Formula: C28H39N3O5

Spectral Data

5-({[(1S,4S,6S)-6-Isopropyl-4-{[5-(methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}amino)-3,3-dimethyl-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 2493
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2022 3:24:25 PM
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Identificators

InChI InChI=1S/C28H39N3O5/c1-16(2)21-10-19(12-24-30-22-8-7-18(27(35)36-6)11-23(22)31-24)17(3)9-20(21)15-29-25(32)13-28(4,5)14-26(33)34/h7-9,11,16,19-21H,10,12-15H2,1-6H3,(H,29,32)(H,30,31)(H,33,34)/t19-,20-,21-/m0/s1
InChI Key JMPCLKQHUMXTKI-ACRUOGEOSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC(=O)CC(C)(C)CC(=O)O
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Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(4-carboxy-3,3-dimethyl-1-oxobutyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, 5-methyl ester;
NAT28-553892

In Other Databases

ChemSpider 29849764
PubChem 71693208