4-Oxo-4-{(1R,9S)-6-oxo-5-[(2-thienylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}butanoic acid

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Systematic / IUPAC Name: 4-Oxo-4-[(1R,9S)-6-oxo-5-(thiophen-2-ylsulfonylamino)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanoic acid

ID: Reference10099

Other Names: 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-butanoic acid, 1,5,6,8-tetrahydro-γ,8-dioxo-9-[(2-thienylsulfonyl)amino]-, (1R,5S)-;
NAT11-283557

Formula: C19H21N3O6S2

Spectral Data

4-Oxo-4-{(1R,9S)-6-oxo-5-[(2-thienylsulfonyl)amino]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl}butanoic 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 2630
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/27/2020 11:43:57 AM
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Identificators

InChI InChI=1S/C19H21N3O6S2/c23-16(5-6-17(24)25)21-9-12-8-13(11-21)15-4-3-14(19(26)22(15)10-12)20-30(27,28)18-2-1-7-29-18/h1-4,7,12-13,20H,5-6,8-11H2,(H,24,25)/t12-,13+/m0/s1
InChI Key NKSZDCMICIRUDM-QWHCGFSZSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NS(=O)(=O)C4=CC=CS4)C(=O)CCC(=O)O
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Other Names 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-butanoic acid, 1,5,6,8-tetrahydro-γ,8-dioxo-9-[(2-thienylsulfonyl)amino]-, (1R,5S)-;
NAT11-283557

In Other Databases

ChemSpider 10054187
PubChem 11879859