({2-[(1R,9S)-5-(2-Naphthyl)-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)-5-Naphthalen-2-yl-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]sulfanylacetic acid

ID: Reference10187

Other Names: Acetic acid, 2-[[2-oxo-2-[(1R,5S)-1,5,6,8-tetrahydro-9-(2-naphthalenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]thio]-;
NAT11-283827

Formula: C25H24N2O4S

Spectral Data

({2-[(1R,9S)-5-(2-Naphthyl)-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 2000
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2021 2:31:26 PM
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Identificators

InChI InChI=1S/C25H24N2O4S/c28-23(14-32-15-24(29)30)26-11-16-9-20(13-26)22-8-7-21(25(31)27(22)12-16)19-6-5-17-3-1-2-4-18(17)10-19/h1-8,10,16,20H,9,11-15H2,(H,29,30)/t16-,20+/m0/s1
InChI Key KXJSDPOQEJKLAC-OXJNMPFZSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5C=C4)C(=O)CSCC(=O)O
CAS
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Other Names Acetic acid, 2-[[2-oxo-2-[(1R,5S)-1,5,6,8-tetrahydro-9-(2-naphthalenyl)-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]thio]-;
NAT11-283827

In Other Databases

PubChem 11885153
ChemSpider 10059481