akuammicine
AlkaPlorer ID: AK004491
Synonym: '', 'methyl (19E)-2,16,19,20-tetradehydrocuran-17-oate', 'Akuammicine; (-)-form', '(-)-Akuammicine:Akuammicine', 'ConMedNP.185', '(-)-akuammicine'
IUPAC Name: methyl (1R,11S,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CC=C1CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)NC1=CC=CC=C14
InChI: InChI=1S/C20H22N2O2/c1-3-12-11-22-9-8-20-14-6-4-5-7-15(14)21-18(20)17(19(23)24-2)13(12)10-16(20)22/h3-7,13,16,21H,8-11H2,1-2H3/t13-,16-,20+/m0/s1
InChIKey: AGZMFTKKLPHOMT-ZSOFBXJNSA-N
Source
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Properties Information
Molecule Weight: 322.408
TPSA？: 41.57
MolLogP？: 2.831100000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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