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

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

ID: Reference10927

Other Names: Butanoic acid, 4-[[[(1S,4S,6S)-4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]amino]-4-oxo-;
NAT28-538598

Formula: C23H30FN3O3

Spectral Data

4-[({(1S,4S,6S)-4-[(5-Fluoro-1H-benzimidazol-2-yl)methyl]-6-isopropyl-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 775
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/8/2021 7:34:27 AM
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Identificators

InChI InChI=1S/C23H30FN3O3/c1-13(2)18-9-15(10-21-26-19-5-4-17(24)11-20(19)27-21)14(3)8-16(18)12-25-22(28)6-7-23(29)30/h4-5,8,11,13,15-16,18H,6-7,9-10,12H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)/t15-,16-,18-/m0/s1
InChI Key WWVIWQQMQIFPHS-BQFCYCMXSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)F)C(C)C)CNC(=O)CCC(=O)O
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Other Names Butanoic acid, 4-[[[(1S,4S,6S)-4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]amino]-4-oxo-;
NAT28-538598

In Other Databases

ChemSpider 29849644
PubChem 71693114