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

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

ID: Reference11180

Other Names: NAT28-553875

Formula: C25H35N3O3

Spectral Data

5-[({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(4-methyl-1H-benzimidazol-2-yl)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 165
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 2/4/2022 11:00:48 AM
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Identificators

InChI InChI=1S/C25H35N3O3/c1-15(2)20-12-18(13-22-27-21-8-5-7-16(3)25(21)28-22)17(4)11-19(20)14-26-23(29)9-6-10-24(30)31/h5,7-8,11,15,18-20H,6,9-10,12-14H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t18-,19-,20-/m0/s1
InChI Key MLECKZPOWRGTQV-UFYCRDLUSA-N
Canonical SMILES CC1=C2C(=CC=C1)NC(=N2)CC3CC(C(C=C3C)CNC(=O)CCCC(=O)O)C(C)C
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Other Names NAT28-553875

In Other Databases

PubChem 75536172
ChemSpider 29849757