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

enlarge

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-(thiophen-2-ylmethyl)propanamide

ID: Reference11114

Other Names: NAT23-391043

Formula: C21H28N4O2S2

Spectral Data

3-[(2S,5aS,8aR)-1-Methyl-5-oxo-6-(2-thienylmethyl)decahydropyrrolo[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.

View Mass Spectra

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 12/17/2021 12:15:32 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H28N4O2S2/c1-24-15(6-7-19(26)22-13-16-4-2-10-28-16)12-23-21(27)20-18(24)8-9-25(20)14-17-5-3-11-29-17/h2-5,10-11,15,18,20H,6-9,12-14H2,1H3,(H,22,26)(H,23,27)/t15-,18+,20-/m0/s1
InChI Key AABCUMMNELBAAF-CVAIRZPRSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=CS3)CC4=CC=CS4
CAS
Splash
Other Names NAT23-391043

In Other Databases

PubChem 45361015
ChemSpider 21383180