({2-[(1R,9S)-3-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl}sulfanyl)acetic acid

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Systematic / IUPAC Name: 2-[2-[(1R,9S)-3-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]sulfanylacetic acid

ID: Reference13088

Other Names: NAT11-287864

Formula: C23H22N2O4S2

Spectral Data

({2-[(1R,9S)-3-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl}sulfanyl)acetic acid 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 1714
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/5/2024 12:46:56 PM
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Identificators

InChI InChI=1S/C23H22N2O4S2/c26-20-6-5-17(19-8-15-3-1-2-4-18(15)31-19)23-16-7-14(10-25(20)23)9-24(11-16)21(27)12-30-13-22(28)29/h1-6,8,14,16H,7,9-13H2,(H,28,29)/t14-,16+/m0/s1
InChI Key AUAICVSWYLAAGZ-GOEBONIOSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC5=CC=CC=C5S4)C(=O)CSCC(=O)O
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Other Names NAT11-287864

In Other Databases

PubChem 7144163
ChemSpider 5484902