3-[(2S,5aS,8aR)-6-(2,2-Dimethylpropyl)-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-(2,2-Dimethylpropyl)-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: Reference11109

Other Names: NAT23-391029

Formula: C22H35N5O2

Spectral Data

3-[(2S,5aS,8aR)-6-(2,2-Dimethylpropyl)-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 1325
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/10/2021 11:33:10 AM
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Identificators

InChI InChI=1S/C22H35N5O2/c1-22(2,3)15-27-11-9-18-20(27)21(29)25-14-17(26(18)4)7-8-19(28)24-13-16-6-5-10-23-12-16/h5-6,10,12,17-18,20H,7-9,11,13-15H2,1-4H3,(H,24,28)(H,25,29)/t17-,18+,20-/m0/s1
InChI Key DZUQAWKBXVEZJV-NSHGMRRFSA-N
Canonical SMILES CC(C)(C)CN1CCC2C1C(=O)NCC(N2C)CCC(=O)NCC3=CN=CC=C3
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Other Names NAT23-391029

In Other Databases

PubChem 45361003
ChemSpider 21383168