(2S,6S)-8-imino-2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1(9),10,13,15-tetraen-3-one

AlkaPlorer ID: AK250798

Synonym: None

IUPAC Name: (2S,6S)-8-imino-2,16-dimethoxy-5,5-dimethyl-12-oxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),10,13,15-tetraen-3-one

Structure

SMILES: COC1=C2C=COC2=NC2=C1[C@]1(OC)C(=O)CC(C)(C)[C@@H]1CC2=N

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InChI: InChI=1S/C18H20N2O4/c1-17(2)8-12(21)18(23-4)11(17)7-10(19)14-13(18)15(22-3)9-5-6-24-16(9)20-14/h5-6,11,19H,7-8H2,1-4H3/t11-,18+/m0/s1

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InChIKey: UWJQESKYRBMKSY-BBATYDOGSA-N

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Properties Information

Molecule Weight: 328.36800000000005

TPSA: 85.41000000000001

MolLogP: 3.064870000000001

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information