(2S)-N2-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-isopropyl-N4-phenyl-1,2,4-piperazinetricarboxamide

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Systematic / IUPAC Name: (2S)-2-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-4-N-phenyl-1-N-propan-2-ylpiperazine-1,2,4-tricarboxamide

ID: Reference8979

Other Names: 1,2,4-Piperazinetricarboxamide, N2-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-N1-(1-methylethyl)-N4-phenyl-, (2S)-;
NAT9-312626

Formula: C25H38N6O4

Spectral Data

(2S)-N2-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-isopropyl-N4-phenyl-1,2,4-piperazinetricarboxamide 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 3298
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2019 11:21:37 AM
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Identificators

InChI InChI=1S/C25H38N6O4/c1-17(2)27-25(35)31-14-13-30(24(34)28-19-11-7-4-8-12-19)16-21(31)23(33)29-20(22(26)32)15-18-9-5-3-6-10-18/h4,7-8,11-12,17-18,20-21H,3,5-6,9-10,13-16H2,1-2H3,(H2,26,32)(H,27,35)(H,28,34)(H,29,33)/t20-,21-/m0/s1
InChI Key ZIJANFYGEMEEFB-SFTDATJTSA-N
Canonical SMILES CC(C)NC(=O)N1CCN(CC1C(=O)NC(CC2CCCCC2)C(=O)N)C(=O)NC3=CC=CC=C3
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Other Names 1,2,4-Piperazinetricarboxamide, N2-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-N1-(1-methylethyl)-N4-phenyl-, (2S)-;
NAT9-312626

In Other Databases

ChemSpider 10061924
PubChem 11887601