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

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

ID: Reference10270

Other Names: 2-Piperazinecarboxamide, N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-[4-(dimethylamino)benzoyl]-1-(phenylsulfonyl)-, (2S)-;
NAT9-312610

Formula: C29H39N5O5S

Spectral Data

(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-1-(phenylsulfonyl)-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 2
No. of Spectra 1977
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/5/2021 1:53:36 PM
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Identificators

InChI InChI=1S/C29H39N5O5S/c1-32(2)23-15-13-22(14-16-23)29(37)33-17-18-34(40(38,39)24-11-7-4-8-12-24)26(20-33)28(36)31-25(27(30)35)19-21-9-5-3-6-10-21/h4,7-8,11-16,21,25-26H,3,5-6,9-10,17-20H2,1-2H3,(H2,30,35)(H,31,36)/t25-,26-/m0/s1
InChI Key LVWDNWFWAROLMI-UIOOFZCWSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3CCCCC3)C(=O)N)S(=O)(=O)C4=CC=CC=C4
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Other Names 2-Piperazinecarboxamide, N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-[4-(dimethylamino)benzoyl]-1-(phenylsulfonyl)-, (2S)-;
NAT9-312610

In Other Databases

PubChem 45361702
ChemSpider 22806775