3-[(2S,5aS,8aR)-6-Benzyl-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)-6-Benzyl-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-2-yl]-N-(thiophen-2-ylmethyl)propanamide

ID: Reference10297

Other Names: Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-1-methyl-5-oxo-6-(phenylmethyl)-N-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-391048

Formula: C23H30N4O2S

Spectral Data

3-[(2S,5aS,8aR)-6-Benzyl-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 2
No. of Spectra 3443
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/12/2021 1:03:48 PM
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Identificators

InChI InChI=1S/C23H30N4O2S/c1-26-18(9-10-21(28)24-15-19-8-5-13-30-19)14-25-23(29)22-20(26)11-12-27(22)16-17-6-3-2-4-7-17/h2-8,13,18,20,22H,9-12,14-16H2,1H3,(H,24,28)(H,25,29)/t18-,20+,22-/m0/s1
InChI Key WBCQSNSWTQZSHE-DWLFOUALSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=CS3)CC4=CC=CC=C4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-1-methyl-5-oxo-6-(phenylmethyl)-N-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-391048

In Other Databases

PubChem 45361017
ChemSpider 21383182