(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-1-(4-morpholinylcarbonyl)-2-piperazinecarboxamide

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Systematic / IUPAC Name: (2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-(morpholine-4-carbonyl)piperazine-2-carboxamide

ID: Reference10269

Other Names: 2-Piperazinecarboxamide, N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-[4-(dimethylamino)benzoyl]-1-(4-morpholinylcarbonyl)-, (2S)-;
NAT9-312580

Formula: C28H42N6O5

Spectral Data

(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-1-(4-morpholinylcarbonyl)-2-piperazinecarboxamide 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 2265
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 1:49:38 PM
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Identificators

InChI InChI=1S/C28H42N6O5/c1-31(2)22-10-8-21(9-11-22)27(37)33-12-13-34(28(38)32-14-16-39-17-15-32)24(19-33)26(36)30-23(25(29)35)18-20-6-4-3-5-7-20/h8-11,20,23-24H,3-7,12-19H2,1-2H3,(H2,29,35)(H,30,36)/t23-,24-/m0/s1
InChI Key CXDGNUOIYDUMCX-ZEQRLZLVSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3CCCCC3)C(=O)N)C(=O)N4CCOCC4
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Other Names 2-Piperazinecarboxamide, N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-[4-(dimethylamino)benzoyl]-1-(4-morpholinylcarbonyl)-, (2S)-;
NAT9-312580

In Other Databases

PubChem 45361701
ChemSpider 22806774