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

enlarge

Systematic / IUPAC Name: 5-[[(1S,4S,6S)-4-[(6-Methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-5-oxopentanoic acid

ID: Reference12967

Other Names: NAT28-553864

Formula: C25H35N3O4

Spectral Data

5-[({(1S,4S,6S)-6-Isopropyl-4-[(5-methoxy-1H-benzimidazol-2-yl)methyl]-3-methyl-2-cyclohexen-1-yl}methyl)amino]-5-oxopentanoic 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 2105
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/12/2024 10:24:46 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H35N3O4/c1-15(2)20-11-17(12-23-27-21-9-8-19(32-4)13-22(21)28-23)16(3)10-18(20)14-26-24(29)6-5-7-25(30)31/h8-10,13,15,17-18,20H,5-7,11-12,14H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t17-,18-,20-/m0/s1
InChI Key GQQXQVKWQKDPAQ-BJLQDIEVSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=C3)OC)C(C)C)CNC(=O)CCCC(=O)O
CAS
Splash
Other Names NAT28-553864

In Other Databases

ChemSpider 29849751
PubChem 71693197