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-phenylpropanamide

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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-phenylpropanamide

ID: Reference11222

Other Names: NAT23-391089

Formula: C20H26N6O2S

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-phenylpropanamide 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 1575
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/18/2022 7:48:33 AM
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Identificators

InChI InChI=1S/C20H26N6O2S/c1-25-16(7-8-18(27)22-14-5-3-2-4-6-14)11-21-20(28)19-17(25)9-10-26(19)12-15-13-29-24-23-15/h2-6,13,16-17,19H,7-12H2,1H3,(H,21,28)(H,22,27)/t16-,17+,19-/m0/s1
InChI Key ZNADEVJVXPGDJQ-SCTDSRPQSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NC3=CC=CC=C3)CC4=CSN=N4
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Other Names NAT23-391089

In Other Databases

PubChem 45361055
ChemSpider 21383220