cyclo(Gly-Leu)

AlkaPlorer ID: AK025561

Synonym: '(S)-3-Isobutylpiperazine-2,5-dione'

IUPAC Name: (3S)-3-(2-methylpropyl)piperazine-2,5-dione

Structure

SMILES: CC(C)C[C@@H]1N=C(O)CN=C1O

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InChI: InChI=1S/C8H14N2O2/c1-5(2)3-6-8(12)9-4-7(11)10-6/h5-6H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1

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InChIKey: VQFHWKRNHGHZTK-LURJTMIESA-N

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Properties Information

Molecule Weight: 170.212

TPSA: 65.18

MolLogP: 1.3277

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Fusobacterium nucleatum Fusobacterium nucleatum Inhibition nan % 10.1016/j.bmc.2018.11.042
Porphyromonas gingivalis Porphyromonas gingivalis Inhibition nan % 10.1016/j.bmc.2018.11.042
Streptococcus mutans Streptococcus mutans GI nan None 10.1016/j.bmc.2018.11.042
Streptococcus mutans Streptococcus mutans Inhibition nan % 10.1016/j.bmc.2018.11.042
None NON-PROTEIN TARGET Inhibition 0.0 % 10.1016/j.bmc.2012.01.050

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005598 CC(C)C[C@@H]1NC(=O)CNC1=O>>CC(C)/C=C1\NC(=O)CNC1=O enzymemap_20549