Methyl N-{[(2S)-1,4-bis(3-fluorobenzoyl)-2-piperazinyl]carbonyl}-D-alaninate

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Systematic / IUPAC Name: Methyl (2R)-2-[[(2S)-1,4-bis(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate

ID: Reference10274

Other Names: Methyl N-{[(2S)-1,4-bis(3-fluorobenzoyl)-2-piperazinyl]carbonyl}-D-alaninate;
NAT9-312955

Formula: C23H23F2N3O5

Spectral Data

Methyl N-{[(2S)-1,4-bis(3-fluorobenzoyl)-2-piperazinyl]carbonyl}-D-alaninate 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 1318
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 2:29:18 PM
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Identificators

InChI InChI=1S/C23H23F2N3O5/c1-14(23(32)33-2)26-20(29)19-13-27(21(30)15-5-3-7-17(24)11-15)9-10-28(19)22(31)16-6-4-8-18(25)12-16/h3-8,11-12,14,19H,9-10,13H2,1-2H3,(H,26,29)/t14-,19+/m1/s1
InChI Key LGCBRVVKCLTZBC-KUHUBIRLSA-N
Canonical SMILES CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)C3=CC(=CC=C3)F
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Other Names Methyl N-{[(2S)-1,4-bis(3-fluorobenzoyl)-2-piperazinyl]carbonyl}-D-alaninate;
NAT9-312955

In Other Databases

ChemSpider 5977533
PubChem 7663613