3-[(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-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-(1H-Imidazol-2-ylmethyl)-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: Reference10992

Other Names: NAT23-391050

Formula: C20H28N6O2S

Spectral Data

3-[(2S,5aS,8aR)-6-(1H-Imidazol-2-ylmethyl)-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 2735
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/29/2021 7:04:18 AM
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Identificators

InChI InChI=1S/C20H28N6O2S/c1-25-14(4-5-18(27)23-12-15-3-2-10-29-15)11-24-20(28)19-16(25)6-9-26(19)13-17-21-7-8-22-17/h2-3,7-8,10,14,16,19H,4-6,9,11-13H2,1H3,(H,21,22)(H,23,27)(H,24,28)/t14-,16+,19-/m0/s1
InChI Key OJSFVCQNKIRYHT-GMBSWORKSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=CS3)CC4=NC=CN4
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Other Names NAT23-391050

In Other Databases

PubChem 45361019
ChemSpider 21383184