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

enlarge

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

ID: Reference13134

Other Names: NAT28-405762

Formula: C23H33N3O4

Spectral Data

4-({[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(3-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2830
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/9/2024 10:46:43 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H33N3O4/c1-15(2)20-10-18(11-22(28)25-13-17-5-4-8-24-12-17)16(3)9-19(20)14-26-21(27)6-7-23(29)30/h4-5,8-9,12,15,18-20H,6-7,10-11,13-14H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)/t18-,19-,20-/m0/s1
InChI Key OHYHXRNLLXZQBU-UFYCRDLUSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)CCC(=O)O
CAS
Splash
Other Names NAT28-405762

In Other Databases

ChemSpider 22937182
PubChem 38028580