(2S,5aS,8aR)-2-[3-(4-Hydroxy-1-piperidinyl)-3-oxopropyl]-6-(1H-imidazol-2-ylmethyl)-1-methyloctahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one

enlarge

Systematic / IUPAC Name: (2S,5aS,8aR)-2-[3-(4-Hydroxypiperidin-1-yl)-3-oxopropyl]-6-(1H-imidazol-2-ylmethyl)-1-methyl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one

ID: Reference10284

Other Names: Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-(4-hydroxy-1-piperidinyl)-3-oxopropyl]-6-(1H-imidazol-2-ylmethyl)-1-methyl-, (2S,5aS,8aR)-;
NAT23-391310

Formula: C20H32N6O3

Spectral Data

(2S,5aS,8aR)-2-[3-(4-Hydroxy-1-piperidinyl)-3-oxopropyl]-6-(1H-imidazol-2-ylmethyl)-1-methyloctahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one 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 1609
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 9:53:08 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H32N6O3/c1-24-14(2-3-18(28)25-9-4-15(27)5-10-25)12-23-20(29)19-16(24)6-11-26(19)13-17-21-7-8-22-17/h7-8,14-16,19,27H,2-6,9-13H2,1H3,(H,21,22)(H,23,29)/t14-,16+,19-/m0/s1
InChI Key FMLYJLJZDTVBFV-GMBSWORKSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCC(CC3)O)CC4=NC=CN4
CAS
Splash
Other Names Pyrrolo[3,2-E]-1,4-diazepin-5(2H)-one, octahydro-2-[3-(4-hydroxy-1-piperidinyl)-3-oxopropyl]-6-(1H-imidazol-2-ylmethyl)-1-methyl-, (2S,5aS,8aR)-;
NAT23-391310

In Other Databases

ChemSpider 21383367
PubChem 45361202