3-{[(1R,9S)-5-{[(4-Acetamidophenyl)sulfonyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzoic acid

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Systematic / IUPAC Name: 3-[(1R,9S)-5-[(4-Acetamidophenyl)sulfonylamino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]benzoic acid

ID: Reference13171

Other Names: NAT11-275181

Formula: C27H26N4O7S

Spectral Data

3-{[(1R,9S)-5-{[(4-Acetamidophenyl)sulfonyl]amino}-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]carbonyl}benzoic 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 2
No. of Spectra 3525
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/6/2024 9:11:08 AM
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Identificators

InChI InChI=1S/C27H26N4O7S/c1-16(32)28-21-5-7-22(8-6-21)39(37,38)29-23-9-10-24-20-11-17(14-31(24)26(23)34)13-30(15-20)25(33)18-3-2-4-19(12-18)27(35)36/h2-10,12,17,20,29H,11,13-15H2,1H3,(H,28,32)(H,35,36)/t17-,20+/m0/s1
InChI Key ZMYLQQGDMCCRAH-FXAWDEMLSA-N
Canonical SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C5=CC(=CC=C5)C(=O)O)CN3C2=O
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Other Names NAT11-275181

In Other Databases

PubChem 11879850
ChemSpider 10054178