4-[[(1S,4S,6S)-3-Methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)amino]-4-oxobutanoic acid

ID: Reference13356

Other Names: NAT28-553871

Formula: C24H33N3O3

Spectral Data

4-[[(1S,4S,6S)-3-Methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-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 1660
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/11/2025 11:00:43 AM
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Identificators

InChI InChI=1S/C24H33N3O3/c1-14(2)19-11-17(12-21-26-20-7-5-6-15(3)24(20)27-21)16(4)10-18(19)13-25-22(28)8-9-23(29)30/h5-7,10,14,17-19H,8-9,11-13H2,1-4H3,(H,25,28)(H,26,27)(H,29,30)/t17-,18-,19-/m0/s1
InChI Key JHTXRKPGWPKLQU-FHWLQOOXSA-N
Canonical SMILES CC1=C2C(=CC=C1)NC(=N2)CC3CC(C(C=C3C)CNC(=O)CCC(=O)O)C(C)C
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Other Names NAT28-553871

In Other Databases

PubChem 75536171