({2-[(1R,9S)-5-{[(Methylsulfanyl)acetyl]amino}-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-[(2-Methylsulfanylacetyl)amino]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-2-oxoethyl]sulfanylacetic acid

ID: Reference11987

Other Names: NAT11-294629

Formula: C18H23N3O5S2

Spectral Data

({2-[(1R,9S)-5-{[(Methylsulfanyl)acetyl]amino}-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 2828
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/25/2022 5:03:02 PM
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Identificators

InChI InChI=1S/C18H23N3O5S2/c1-27-8-15(22)19-13-2-3-14-12-4-11(6-21(14)18(13)26)5-20(7-12)16(23)9-28-10-17(24)25/h2-3,11-12H,4-10H2,1H3,(H,19,22)(H,24,25)/t11-,12+/m0/s1
InChI Key UKUMUBOZXDYOOI-NWDGAFQWSA-N
Canonical SMILES CSCC(=O)NC1=CC=C2C3CC(CN(C3)C(=O)CSCC(=O)O)CN2C1=O
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Other Names NAT11-294629

In Other Databases

ChemSpider 21380214
PubChem 26742300