UNPD100209
AlkaPlorer ID: AK009403
Synonym: None
IUPAC Name: (3S,6R)-6-hydroxy-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3-methylsulfanylpiperazine-2,5-dione
Structure
SMILES: CS[C@]1(CC2=CC=C(OCC=C(C)C)C=C2)NC(=O)[C@@H](O)NC1=O
InChI: InChI=1S/C17H22N2O4S/c1-11(2)8-9-23-13-6-4-12(5-7-13)10-17(24-3)16(22)18-14(20)15(21)19-17/h4-8,14,20H,9-10H2,1-3H3,(H,18,22)(H,19,21)/t14-,17+/m1/s1
InChIKey: ZSBBQAHPUJSAGS-PBHICJAKSA-N
Source
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Properties Information
Molecule Weight: 350.44000000000005
TPSA？: 87.66
MolLogP？: 1.1977999999999995
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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