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

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

ID: Reference9409

Other Names: 2-Piperazinecarboxamide, N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-(3-fluorobenzoyl)-1-(phenylsulfonyl)-, (2R)-;
NAT9-312709

Formula: C27H33FN4O5S

Spectral Data

(2R)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-(3-fluorobenzoyl)-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 3863
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2020 12:43:01 PM
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Identificators

InChI InChI=1S/C27H33FN4O5S/c28-21-11-7-10-20(17-21)27(35)31-14-15-32(38(36,37)22-12-5-2-6-13-22)24(18-31)26(34)30-23(25(29)33)16-19-8-3-1-4-9-19/h2,5-7,10-13,17,19,23-24H,1,3-4,8-9,14-16,18H2,(H2,29,33)(H,30,34)/t23-,24+/m0/s1
InChI Key XNWWNIGYLLJUIM-BJKOFHAPSA-N
Canonical SMILES C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)F
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Other Names 2-Piperazinecarboxamide, N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxoethyl]-4-(3-fluorobenzoyl)-1-(phenylsulfonyl)-, (2R)-;
NAT9-312709

In Other Databases

ChemSpider 10061935
PubChem 11887612