Methyl N-{[(2R)-1-(cyclohexylcarbamoyl)-4-(3-pyridinylcarbonyl)-2-piperazinyl]carbonyl}-D-alaninate

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

ID: Reference12498

Other Names: D-Alanine, N-[[(2R)-1-[(cyclohexylamino)carbonyl]-4-(3-pyridinylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311730

Formula: C22H31N5O5

Spectral Data

Methyl N-{[(2R)-1-(cyclohexylcarbamoyl)-4-(3-pyridinylcarbonyl)-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 2770
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 4/27/2023 2:34:20 PM
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Identificators

InChI InChI=1S/C22H31N5O5/c1-15(21(30)32-2)24-19(28)18-14-26(20(29)16-7-6-10-23-13-16)11-12-27(18)22(31)25-17-8-4-3-5-9-17/h6-7,10,13,15,17-18H,3-5,8-9,11-12,14H2,1-2H3,(H,24,28)(H,25,31)/t15-,18-/m1/s1
InChI Key SFLPGEQUPGJJID-CRAIPNDOSA-N
Canonical SMILES CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)NC2CCCCC2)C(=O)C3=CN=CC=C3
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Other Names D-Alanine, N-[[(2R)-1-[(cyclohexylamino)carbonyl]-4-(3-pyridinylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311730

In Other Databases

ChemSpider 5977503
PubChem 7663579