methyl 15-ethyl-12-[16-ethyl-8-methoxy-18-(2-methoxy-2-oxoethyl)-2,12-diazapentacyclo[15.1.1.0²,¹?.0?,¹³.0?,¹¹]nonadeca-5(13),6,8,10-tetraen-9-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0?,?]octadeca-3(11),4,6,8-tetraene-18-carboxylate
AlkaPlorer ID: AK125015
Synonym: None
IUPAC Name: methyl (15S)-15-ethyl-12-[16-ethyl-8-methoxy-18-(2-methoxy-2-oxoethyl)-2,12-diazapentacyclo[15.1.1.02,15.05,13.06,11]nonadeca-5(13),6,8,10-tetraen-9-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: CCC1C2CC(C2CC(=O)OC)N2CCC3=C(CC12)NC1=CC(C2CC4C(C(=O)OC)C(CC5=C2NC2=CC=CC=C52)N(C)C[C@H]4CC)=C(OC)C=C31
InChI: InChI=1S/C44H56N4O5/c1-7-23-22-47(3)39-18-33-25-11-9-10-12-34(25)46-43(33)32(15-27(23)42(39)44(50)53-6)31-16-35-29(19-40(31)51-4)26-13-14-48-37-17-28(30(37)20-41(49)52-5)24(8-2)38(48)21-36(26)45-35/h9-12,16,19,23-24,27-28,30,32,37-39,42,45-46H,7-8,13-15,17-18,20-22H2,1-6H3/t23-,24?,27?,28?,30?,32?,37?,38?,39?,42?/m1/s1
InChIKey: ABJYICNGIWOJHA-CPJRDHPNSA-N
Source
Properties Information
Molecule Weight: 720.9549999999999
TPSA？: 99.89
MolLogP？: 6.858300000000008
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 10
Activities Information
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