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

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

ID: Reference11193

Other Names: 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(3-carboxy-1-oxopropyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, 5-methyl ester;
NAT28-553882

Formula: C25H33N3O5

Spectral Data

4-({[(1S,4S,6S)-6-Isopropyl-4-{[5-(methoxycarbonyl)-1H-benzimidazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}amino)-4-oxobutanoic 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 3019
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/7/2022 9:19:17 AM
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Identificators

InChI InChI=1S/C25H33N3O5/c1-14(2)19-10-17(15(3)9-18(19)13-26-23(29)7-8-24(30)31)12-22-27-20-6-5-16(25(32)33-4)11-21(20)28-22/h5-6,9,11,14,17-19H,7-8,10,12-13H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t17-,18-,19-/m0/s1
InChI Key RPXLFECQPNLNPG-FHWLQOOXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)C(=O)OC)C(C)C)CNC(=O)CCC(=O)O
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Other Names 1H-Benzimidazole-5-carboxylic acid, 2-[[(1S,4S,5S)-4-[[(3-carboxy-1-oxopropyl)amino]methyl]-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-, 5-methyl ester;
NAT28-553882

In Other Databases

ChemSpider 29849760
PubChem 71693204