4-[(1R,9S)-5-(Benzylsulfonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-{(1R,9S)-5-[(Benzylsulfonyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl}-4-oxobutanoic acid

ID: Reference13343

Other Names: NAT11-294645

Formula: C22H25N3O6S

Spectral Data

4-[(1R,9S)-5-(Benzylsulfonylamino)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic 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 3735
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/7/2025 12:56:21 PM
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Identificators

InChI InChI=1S/C22H25N3O6S/c26-20(8-9-21(27)28)24-11-16-10-17(13-24)19-7-6-18(22(29)25(19)12-16)23-32(30,31)14-15-4-2-1-3-5-15/h1-7,16-17,23H,8-14H2,(H,27,28)/t16-,17+/m0/s1
InChI Key WPBTYKBDBBVFRC-DLBZAZTESA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)CC4=CC=CC=C4)C(=O)CCC(=O)O
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Other Names NAT11-294645

In Other Databases

PubChem 11867242