3-[(2S,5aS,8aR)-1-Methyl-6-(4-methylbenzyl)-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-6-[(4-methylphenyl)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: Reference11008

Other Names: NAT23-391057

Formula: C24H32N4O2S

Spectral Data

3-[(2S,5aS,8aR)-1-Methyl-6-(4-methylbenzyl)-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 1545
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/5/2021 3:24:42 PM
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Identificators

InChI InChI=1S/C24H32N4O2S/c1-17-5-7-18(8-6-17)16-28-12-11-21-23(28)24(30)26-14-19(27(21)2)9-10-22(29)25-15-20-4-3-13-31-20/h3-8,13,19,21,23H,9-12,14-16H2,1-2H3,(H,25,29)(H,26,30)/t19-,21+,23-/m0/s1
InChI Key YMBRFOXEMUZANC-WPYKKVEZSA-N
Canonical SMILES CC1=CC=C(C=C1)CN2CCC3C2C(=O)NCC(N3C)CCC(=O)NCC4=CC=CS4
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Other Names NAT23-391057

In Other Databases

PubChem 45361026
ChemSpider 21383191