4-({[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(2-pyridinylmethyl)amino]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-(pyridin-2-ylmethylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid

ID: Reference9621

Other Names: Butanoic acid, 4-[[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[(2-pyridinylmethyl)amino]ethyl]-2-cyclohexen-1-yl]methyl]amino]-4-oxo-;
NAT28-405677

Formula: C23H33N3O4

Spectral Data

4-({[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(2-pyridinylmethyl)amino]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 1053
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 5:40:38 AM
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Identificators

InChI InChI=1S/C23H33N3O4/c1-15(2)20-11-17(12-22(28)26-14-19-6-4-5-9-24-19)16(3)10-18(20)13-25-21(27)7-8-23(29)30/h4-6,9-10,15,17-18,20H,7-8,11-14H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t17-,18-,20-/m0/s1
InChI Key CHVHXTIIVMGEGY-BJLQDIEVSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=CC=N2)C(C)C)CNC(=O)CCC(=O)O
CAS
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Other Names Butanoic acid, 4-[[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[(2-pyridinylmethyl)amino]ethyl]-2-cyclohexen-1-yl]methyl]amino]-4-oxo-;
NAT28-405677

In Other Databases

ChemSpider 29849328
PubChem 45783871