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

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

ID: Reference12312

Other Names: NAT3-328062

Formula: C23H25N3O5S

Spectral Data

N-[(1S,11aS)-7-(2,4-Dimethoxyphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-2-(methylsulfanyl)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 2307
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/27/2023 12:32:37 PM
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Identificators

InChI InChI=1S/C23H25N3O5S/c1-30-14-5-6-15(19(11-14)31-2)13-4-7-17-16(10-13)23(29)26-9-8-18(21(26)22(28)25-17)24-20(27)12-32-3/h4-7,10-11,18,21H,8-9,12H2,1-3H3,(H,24,27)(H,25,28)/t18-,21-/m0/s1
InChI Key LLPDQNSWORZWBL-RXVVDRJESA-N
Canonical SMILES COC1=CC(=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)CSC)OC
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Other Names NAT3-328062

In Other Databases

PubChem 11941442
ChemSpider 10115761