3-[(2S,5aS,8aR)-6-Cyclohexyl-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-Cyclohexyl-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: Reference13012

Other Names: NAT23-391033

Formula: C23H35N5O2

Spectral Data

3-[(2S,5aS,8aR)-6-Cyclohexyl-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 1080
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/15/2024 12:45:44 PM
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Identificators

InChI InChI=1S/C23H35N5O2/c1-27-19(9-10-21(29)25-15-17-6-5-12-24-14-17)16-26-23(30)22-20(27)11-13-28(22)18-7-3-2-4-8-18/h5-6,12,14,18-20,22H,2-4,7-11,13,15-16H2,1H3,(H,25,29)(H,26,30)/t19-,20+,22-/m0/s1
InChI Key DASVELVOZJUMLE-VWPQPMDRSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CN=CC=C3)C4CCCCC4
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Other Names NAT23-391033

In Other Databases

PubChem 45361006
ChemSpider 21383171