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

enlarge

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

ID: Reference10232

Other Names: 2-Piperazinecarboxamide, 1-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-[4-(dimethylamino)benzoyl]-, (2S)-;
NAT9-312640

Formula: C25H37N5O4

Spectral Data

(2S)-1-Acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-2-piperazinecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1439
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2021 1:13:02 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H37N5O4/c1-17(31)30-14-13-29(25(34)19-9-11-20(12-10-19)28(2)3)16-22(30)24(33)27-21(23(26)32)15-18-7-5-4-6-8-18/h9-12,18,21-22H,4-8,13-16H2,1-3H3,(H2,26,32)(H,27,33)/t21-,22-/m0/s1
InChI Key HHYKUNSHTKVXGB-VXKWHMMOSA-N
Canonical SMILES CC(=O)N1CCN(CC1C(=O)NC(CC2CCCCC2)C(=O)N)C(=O)C3=CC=C(C=C3)N(C)C
CAS
Splash
Other Names 2-Piperazinecarboxamide, 1-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-[4-(dimethylamino)benzoyl]-, (2S)-;
NAT9-312640

In Other Databases

PubChem 11867569
ChemSpider 10041902