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

ID: Reference13013

Other Names: NAT23-390907

Formula: C21H27FN6O2S

Spectral Data

N-(4-Fluorobenzyl)-3-[(2S,5aS,8aR)-1-methyl-5-oxo-6-(1,2,3-thiadiazol-4-ylmethyl)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 1180
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/15/2024 12:46:22 PM
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Identificators

InChI InChI=1S/C21H27FN6O2S/c1-27-17(6-7-19(29)23-10-14-2-4-15(22)5-3-14)11-24-21(30)20-18(27)8-9-28(20)12-16-13-31-26-25-16/h2-5,13,17-18,20H,6-12H2,1H3,(H,23,29)(H,24,30)/t17-,18+,20-/m0/s1
InChI Key NQUMJHDZESGPQX-NSHGMRRFSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=C(C=C3)F)CC4=CSN=N4
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Other Names NAT23-390907

In Other Databases

PubChem 45360926
ChemSpider 21383090