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

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

ID: Reference9516

Other Names: Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-N-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-6-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-390913

Formula: C24H32N4O3S

Spectral Data

N-(4-Methoxybenzyl)-3-[(2S,5aS,8aR)-1-methyl-5-oxo-6-(2-thienylmethyl)decahydropyrrolo[3,2-E][1,4]diazepin-2-yl]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 1540
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2020 4:00:25 PM
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Identificators

InChI InChI=1S/C24H32N4O3S/c1-27-18(7-10-22(29)25-14-17-5-8-19(31-2)9-6-17)15-26-24(30)23-21(27)11-12-28(23)16-20-4-3-13-32-20/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 RICWMYHJJNQSFR-ZEYPLWLESA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=C(C=C3)OC)CC4=CC=CS4
CAS
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Other Names Pyrrolo[3,2-E]-1,4-diazepine-2-propanamide, decahydro-N-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-6-(2-thienylmethyl)-, (2S,5aS,8aR)-;
NAT23-390913

In Other Databases

PubChem 45360931
ChemSpider 21383095