N-(4-Fluorobenzyl)-3-{(2S,5aS,8aR)-1-methyl-6-[4-(methylsulfonyl)benzyl]-5-oxodecahydropyrrolo[3,2-E][1,4]diazepin-2-yl}propanamide

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Systematic / IUPAC Name: 3-[(2S,5aS,8aR)-1-Methyl-6-[(4-methylsulfonylphenyl)methyl]-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-2-yl]-N-[(4-fluorophenyl)methyl]propanamide

ID: Reference11782

Other Names: NAT23-390904

Formula: C26H33FN4O4S

Spectral Data

N-(4-Fluorobenzyl)-3-{(2S,5aS,8aR)-1-methyl-6-[4-(methylsulfonyl)benzyl]-5-oxodecahydropyrrolo[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 1557
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/23/2022 6:25:02 AM
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Identificators

InChI InChI=1S/C26H33FN4O4S/c1-30-21(9-12-24(32)28-15-18-3-7-20(27)8-4-18)16-29-26(33)25-23(30)13-14-31(25)17-19-5-10-22(11-6-19)36(2,34)35/h3-8,10-11,21,23,25H,9,12-17H2,1-2H3,(H,28,32)(H,29,33)/t21-,23+,25-/m0/s1
InChI Key UITBBTXVKKIVBP-PWWKTKHKSA-N
Canonical SMILES CN1C2CCN(C2C(=O)NCC1CCC(=O)NCC3=CC=C(C=C3)F)CC4=CC=C(C=C4)S(=O)(=O)C
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Other Names NAT23-390904

In Other Databases

ChemSpider 21383087
PubChem 45360923