3-(Hydroxymethyl)-1,4-dimethyl-3,6-bis(methylthio)-6-(phenylmethyl)-2,5-piperazinedione; (3S,6S)-form 

AlkaPlorer ID: AK301483

Synonym: (-)-cis-form 

IUPAC Name: 3-benzyl-6-(hydroxymethyl)-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione

Structure

SMILES: CSC1(CO)C(=O)N(C)C(CC2=CC=CC=C2)(SC)C(=O)N1C

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InChI: InChI=1S/C16H22N2O3S2/c1-17-14(21)16(11-19,23-4)18(2)13(20)15(17,22-3)10-12-8-6-5-7-9-12/h5-9,19H,10-11H2,1-4H3

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InChIKey: WXIJHVRXTHDGKV-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Penicillium turbatum Penicillium Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 354.49700000000007

TPSA: 60.85

MolLogP: 1.2703999999999998

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information