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

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

ID: Reference10993

Other Names: NAT23-391056

Formula: C19H30N4O2S

Spectral Data

3-[(2S,5aS,8aR)-6-Isopropyl-1-methyl-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(2-thienylmethyl)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 1425
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2021 7:05:34 AM
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Identificators

InChI InChI=1S/C19H30N4O2S/c1-13(2)23-9-8-16-18(23)19(25)21-11-14(22(16)3)6-7-17(24)20-12-15-5-4-10-26-15/h4-5,10,13-14,16,18H,6-9,11-12H2,1-3H3,(H,20,24)(H,21,25)/t14-,16+,18-/m0/s1
InChI Key JJHKWOGNPUSWDO-LESCRADOSA-N
Canonical SMILES CC(C)N1CCC2C1C(=O)NCC(N2C)CCC(=O)NCC3=CC=CS3
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Other Names NAT23-391056

In Other Databases

ChemSpider 21383190
PubChem 45361025