N-[(3aS,5aR,7S,10aS)-5,10-Dioxo-1-(2-thienylcarbonyl)dodecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]-2-(2-methoxyphenyl)acetamide

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Systematic / IUPAC Name: N-[(3S,7S,10R,12S)-2,9-Dioxo-4-(thiophene-2-carbonyl)-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-(2-methoxyphenyl)acetamide

ID: Reference12334

Other Names: NAT3-188220

Formula: C24H26N4O5S

Spectral Data

N-[(3aS,5aR,7S,10aS)-5,10-Dioxo-1-(2-thienylcarbonyl)dodecahydrodipyrrolo[1,2-a:3',2'-E][1,4]diazepin-7-yl]-2-(2-methoxyphenyl)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 1852
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/7/2023 9:49:05 AM
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Identificators

InChI InChI=1S/C24H26N4O5S/c1-33-18-6-3-2-5-14(18)11-20(29)25-15-12-17-22(30)26-16-8-9-27(21(16)24(32)28(17)13-15)23(31)19-7-4-10-34-19/h2-7,10,15-17,21H,8-9,11-13H2,1H3,(H,25,29)(H,26,30)/t15-,16-,17+,21-/m0/s1
InChI Key LUQKHIOYUWQNNN-OPOADAIRSA-N
Canonical SMILES COC1=CC=CC=C1CC(=O)NC2CC3C(=O)NC4CCN(C4C(=O)N3C2)C(=O)C5=CC=CS5
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Other Names NAT3-188220

In Other Databases

PubChem 11865954
ChemSpider 10040287