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

ID: Reference11009

Other Names: NAT23-391063

Formula: C19H26N6O2S2

Spectral Data

3-[(2S,5aS,8aR)-1-Methyl-5-oxo-6-(1,2,3-thiadiazol-4-ylmethyl)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 1440
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/5/2021 3:26:25 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H26N6O2S2/c1-24-14(4-5-17(26)20-10-15-3-2-8-28-15)9-21-19(27)18-16(24)6-7-25(18)11-13-12-29-23-22-13/h2-3,8,12,14,16,18H,4-7,9-11H2,1H3,(H,20,26)(H,21,27)/t14-,16+,18-/m0/s1
InChI Key TZRHOVVJRHFJFJ-LESCRADOSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=CS3)CC4=CSN=N4
CAS
Splash
Other Names NAT23-391063

In Other Databases

ChemSpider 21383197
PubChem 45361032