3-[(2S,5aS,8aR)-6-(4-Methoxybenzyl)-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-[(4-Methoxyphenyl)methyl]-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: Reference11825

Other Names: NAT23-391046

Formula: C24H32N4O3S

Spectral Data

3-[(2S,5aS,8aR)-6-(4-Methoxybenzyl)-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 2103
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/7/2022 8:29:32 PM
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Identificators

InChI InChI=1S/C24H32N4O3S/c1-27-18(7-10-22(29)25-15-20-4-3-13-32-20)14-26-24(30)23-21(27)11-12-28(23)16-17-5-8-19(31-2)9-6-17/h3-6,8-9,13,18,21,23H,7,10-12,14-16H2,1-2H3,(H,25,29)(H,26,30)/t18-,21+,23-/m0/s1
InChI Key RIYZLPQNXFGMPS-ZEYPLWLESA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=CS3)CC4=CC=C(C=C4)OC
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Other Names NAT23-391046

In Other Databases

ChemSpider 21383181
PubChem 45361016