N-(4-Fluorobenzyl)-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide

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Systematic / IUPAC Name: 3-[(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-2-yl]-N-[(4-fluorophenyl)methyl]propanamide

ID: Reference10264

Other Names: Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, N-[(4-fluorophenyl)methyl]decahydro-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxo-, (2S,5aS,8aR)-;
NAT23-390894

Formula: C22H29FN6O2

Spectral Data

N-(4-Fluorobenzyl)-3-[(2S,5aS,8aR)-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]propanamide 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 2259
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/26/2021 11:56:52 AM
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Identificators

InChI InChI=1S/C22H29FN6O2/c1-28-17(6-7-20(30)26-12-15-2-4-16(23)5-3-15)13-27-22(31)21-18(28)8-11-29(21)14-19-24-9-10-25-19/h2-5,9-10,17-18,21H,6-8,11-14H2,1H3,(H,24,25)(H,26,30)(H,27,31)/t17-,18+,21-/m0/s1
InChI Key KTULLBQPMRPYKB-UEXGIBASSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=C(C=C3)F)CC4=NC=CN4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, N-[(4-fluorophenyl)methyl]decahydro-6-(1H-imidazol-2-ylmethyl)-1-methyl-5-oxo-, (2S,5aS,8aR)-;
NAT23-390894

In Other Databases

PubChem 45360914
ChemSpider 21383078