19-(2-Oxopropyl)conodurine
AlkaPlorer ID: AK006227
Synonym: None
IUPAC Name: methyl 17-ethyl-5-[(15Z)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-14-(2-oxopropyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Structure
SMILES: CCC1CC2CC3(C1N(C2CC(=O)C)CCC4=C3NC5=C4C=CC(=C5C6CC\7C(C(CC8=C6NC9=CC=CC=C89)N(C/C7=C\C)C)C(=O)OC)OC)C(=O)OC
InChI: InChI=1S/C46H56N4O6/c1-8-25-19-27-22-46(45(53)56-7)42-30(16-17-50(43(25)46)35(27)18-24(3)51)29-14-15-37(54-5)39(41(29)48-42)33-20-31-26(9-2)23-49(4)36(38(31)44(52)55-6)21-32-28-12-10-11-13-34(28)47-40(32)33/h9-15,25,27,31,33,35-36,38,43,47-48H,8,16-23H2,1-7H3/b26-9+
InChIKey: PGCQCKZLVRTFCK-JQAMDZJQSA-N
Source
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Properties Information
Molecule Weight: 760.976
TPSA？: 116.96000000000002
MolLogP？: 6.836600000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 10
Activities Information
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