(3R)-4-(benzenesulfonyl)-3-N-[(1S)-1-carbamoyl-2-cyclohexylethyl]-1-N-isopropylpiperazine-1,3-dicarboxamide
AlkaPlorer ID: AK369936
Synonym: None
IUPAC Name: 3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-4-(benzenesulfonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
Structure
SMILES: CC(C)NC(=O)N1CCN(S(=O)(=O)C2=CC=CC=C2)C(C(=O)NC(CC2CCCCC2)C(N)=O)C1
InChI: InChI=1S/C24H37N5O5S/c1-17(2)26-24(32)28-13-14-29(35(33,34)19-11-7-4-8-12-19)21(16-28)23(31)27-20(22(25)30)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,(H2,25,30)(H,26,32)(H,27,31)
InChIKey: DSFXRUZLRFEWMG-UHFFFAOYSA-N
Reference
Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species
PubChem CID: 78455444
COCONUT: CNP0022716.1
Source
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Properties Information
Molecule Weight: 507.6570000000005
TPSA？: 141.91
MolLogP？: 1.4200000000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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