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

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

ID: Reference11110

Other Names: NAT23-391019

Formula: C24H30FN5O2

Spectral Data

3-[(2S,5aS,8aR)-6-(4-Fluorobenzyl)-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(3-pyridinylmethyl)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 1670
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2021 11:34:02 AM
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Identificators

InChI InChI=1S/C24H30FN5O2/c1-29-20(8-9-22(31)27-14-18-3-2-11-26-13-18)15-28-24(32)23-21(29)10-12-30(23)16-17-4-6-19(25)7-5-17/h2-7,11,13,20-21,23H,8-10,12,14-16H2,1H3,(H,27,31)(H,28,32)/t20-,21+,23-/m0/s1
InChI Key RKASRVSDWAKFRZ-XJUOHMSHSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CN=CC=C3)CC4=CC=C(C=C4)F
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Other Names NAT23-391019

In Other Databases

PubChem 45360996
ChemSpider 21383161