4-({[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}amino)-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[[(1S,4S,6S)-3-Methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid

ID: Reference12348

Other Names: NAT28-406867

Formula: C26H38N4O4

Spectral Data

4-({[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-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 2949
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2023 11:52:51 AM
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Identificators

InChI InChI=1S/C26H38N4O4/c1-18(2)22-15-20(19(3)14-21(22)17-28-24(31)7-8-26(33)34)16-25(32)30-12-10-29(11-13-30)23-6-4-5-9-27-23/h4-6,9,14,18,20-22H,7-8,10-13,15-17H2,1-3H3,(H,28,31)(H,33,34)/t20-,21-,22-/m0/s1
InChI Key RESYDVSSSFVORN-FKBYEOEOSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNC(=O)CCC(=O)O
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Other Names NAT28-406867

In Other Databases

ChemSpider 22937246
PubChem 38029071