4-[({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-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-Methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid

ID: Reference12892

Other Names: NAT28-553860

Formula: C24H33N3O4

Spectral Data

4-[({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-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 1811
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2023 9:06:27 AM
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Identificators

InChI InChI=1S/C24H33N3O4/c1-14(2)19-10-16(11-22-26-20-6-5-18(31-4)12-21(20)27-22)15(3)9-17(19)13-25-23(28)7-8-24(29)30/h5-6,9,12,14,16-17,19H,7-8,10-11,13H2,1-4H3,(H,25,28)(H,26,27)(H,29,30)/t16-,17-,19-/m0/s1
InChI Key DLLVCPSEEBMSFV-LNLFQRSKSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)OC)C(C)C)CNC(=O)CCC(=O)O
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Other Names NAT28-553860

In Other Databases

ChemSpider 29849749
PubChem 71693195