2-(Methylsulfanyl)-N-{(1S,11aS)-7-[4-(methylsulfanyl)phenyl]-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl}acetamide

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Systematic / IUPAC Name: N-[(6aS,7S)-2-(4-Methylsulfanylphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-2-methylsulfanylacetamide

ID: Reference12307

Other Names: NAT3-328023

Formula: C22H23N3O3S2

Spectral Data

2-(Methylsulfanyl)-N-{(1S,11aS)-7-[4-(methylsulfanyl)phenyl]-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl}acetamide 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 1903
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 12:13:28 PM
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Identificators

InChI InChI=1S/C22H23N3O3S2/c1-29-12-19(26)23-18-9-10-25-20(18)21(27)24-17-8-5-14(11-16(17)22(25)28)13-3-6-15(30-2)7-4-13/h3-8,11,18,20H,9-10,12H2,1-2H3,(H,23,26)(H,24,27)/t18-,20-/m0/s1
InChI Key VKNMFNLSGXWYEJ-ICSRJNTNSA-N
Canonical SMILES CSCC(=O)NC1CCN2C1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC=C(C=C4)SC
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Other Names NAT3-328023

In Other Databases

ChemSpider 10115726
PubChem 11941407