methyl 4-[11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-10-(methoxycarbonyl)-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,?.0²,?.0¹?,¹?]nonadeca-2(7),3,5,13-tetraen-4-yl]-1-ethyl-2-oxa-6,16-diazahexacyclo[16.2.1.0³,¹?.0?,¹³.0?,¹².0¹?,¹?]henicosa-5(13),7,9,11-tetraene-4-carboxylate
AlkaPlorer ID: AK125677
Synonym: None
IUPAC Name: methyl (4S)-4-[(10S,11R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-1-ethyl-2-oxa-6,16-diazahexacyclo[16.2.1.03,19.05,13.07,12.016,19]henicosa-5(13),7,9,11-tetraene-4-carboxylate
Structure
SMILES: CCC12CC3CN4CCC5=C(NC6=CC=CC=C56)[C@@](C(=O)OC)(C5=CC6=C(C=C5OC)N(C)C5C67CCN6CC=CC(CC)(C67)[C@@H](OC(C)=O)[C@]5(O)C(=O)OC)C(O1)C34C2
InChI: InChI=1S/C47H56N4O9/c1-8-42-23-27-24-51-19-15-29-28-13-10-11-14-32(28)48-35(29)46(40(53)57-6,39(60-42)45(27,51)25-42)31-21-30-33(22-34(31)56-5)49(4)37-44(30)17-20-50-18-12-16-43(9-2,36(44)50)38(59-26(3)52)47(37,55)41(54)58-7/h10-14,16,21-22,27,36-39,48,55H,8-9,15,17-20,23-25H2,1-7H3/t27?,36?,37?,38-,39?,42?,43?,44?,45?,46+,47+/m1/s1
InChIKey: MDXBGVAEQZSFTM-FUBURQDRSA-N
Source
Properties Information
Molecule Weight: 820.9840000000002
TPSA？: 143.1
MolLogP？: 4.149800000000004
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 11
Activities Information
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