Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl}-D-alaninate

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

ID: Reference11703

Other Names: D-Alanine, N-[[(2S)-1-[(cyclohexylamino)carbonyl]-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311629

Formula: C22H37N5O5

Spectral Data

Methyl N-{[(2S)-1-(cyclohexylcarbamoyl)-4-(4-piperidinylcarbonyl)-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 2171
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2022 9:07:55 AM
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Identificators

InChI InChI=1S/C22H37N5O5/c1-15(21(30)32-2)24-19(28)18-14-26(20(29)16-8-10-23-11-9-16)12-13-27(18)22(31)25-17-6-4-3-5-7-17/h15-18,23H,3-14H2,1-2H3,(H,24,28)(H,25,31)/t15-,18+/m1/s1
InChI Key NJGHNYAUXYKSFK-QAPCUYQASA-N
Canonical SMILES CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)NC2CCCCC2)C(=O)C3CCNCC3
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Other Names D-Alanine, N-[[(2S)-1-[(cyclohexylamino)carbonyl]-4-(4-piperidinylcarbonyl)-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311629

In Other Databases

PubChem 75536033
ChemSpider 29857270