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

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

ID: Reference9408

Other Names: D-Alanine, N-[[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluorobenzoyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311547

Formula: C23H30FN3O5

Spectral Data

Methyl N-{[(2S)-1-(cyclohexylcarbonyl)-4-(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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1429
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2020 12:41:44 PM
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Identificators

InChI InChI=1S/C23H30FN3O5/c1-15(23(31)32-2)25-20(28)19-14-26(21(29)17-9-6-10-18(24)13-17)11-12-27(19)22(30)16-7-4-3-5-8-16/h6,9-10,13,15-16,19H,3-5,7-8,11-12,14H2,1-2H3,(H,25,28)/t15-,19+/m1/s1
InChI Key LBYZQCAHOUMEBB-BEFAXECRSA-N
Canonical SMILES CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CCCCC2)C(=O)C3=CC(=CC=C3)F
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Other Names D-Alanine, N-[[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluorobenzoyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311547

In Other Databases

ChemSpider 5977717
PubChem 7663812