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

enlarge

Systematic / IUPAC Name: (E)-4-[[(1S,4S,6S)-4-[(6-Methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobut-2-enoic acid

ID: Reference11145

Other Names: NAT28-553866

Formula: C24H31N3O4

Spectral Data

(2E)-4-[({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-2-cyclohexen-1-yl}methyl)amino]-4-oxo-2-butenoic 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 1373
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2022 3:38:31 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H31N3O4/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/h5-9,12,14,16-17,19H,10-11,13H2,1-4H3,(H,25,28)(H,26,27)(H,29,30)/b8-7+/t16-,17-,19-/m0/s1
InChI Key NUVREIPSPJUFFI-IHIXIPEHSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)OC)C(C)C)CNC(=O)C=CC(=O)O
CAS
Splash
Other Names NAT28-553866

In Other Databases

ChemSpider 29849752
PubChem 71693198