maculosin

AlkaPlorer ID: AK007093

Synonym: 'Cyclo-(L-Pro-L-Tyr)', 'Cyclo(prolyltyrosyl)', 'Cyclo(L-Pro-L-Tyr)', 'cyclo(L-Pro-L-Tyr)', 'Cyclo(D-Pro-L-Tyr)', 'NSC646120', '4549-02-4', 'Maculosin 1', 'cyclo( D- Pro- L-Tyr)', 'Cyclo(L-tyrosyl-L-proline)', 'Maculosin', 'Cyclo(D-Tyr-D-Pro)', 'L-Proline-L-tyrosine anhydride', '61117-56-4', 'CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR', 'Maculosine', '(-)-Maculosin'

IUPAC Name: (3S)-3-[(4-hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Structure

SMILES: O=C1[C@H](CC2=CC=C(O)C=C2)N=C(O)C2CCCN12

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InChI: InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12?/m0/s1

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InChIKey: LSGOTAXPWMCUCK-PXYINDEMSA-N

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Properties Information

Molecule Weight: 260.29299999999995

TPSA: 73.13

MolLogP: 1.2644000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information