methyl 13-[11-(acetyloxy)-12-ethyl-10-hydroxy-5-methoxy-10-(methoxycarbonyl)-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,?.0²,?.0¹?,¹?]nonadeca-2,4,6,13-tetraen-17-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.0?,¹².0?,¹?.0¹?,¹?]icosa-4(12),5,7,9-tetraene-13-carboxylate
AlkaPlorer ID: AK318578
Synonym: None
IUPAC Name: methyl (13S,15S,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-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(7),3,5,13-tetraen-17-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate
Structure
SMILES: CC[C@]12CN3CCC4=C(NC5=CC=CC=C45)[C@@](C(=O)OC)(C4C[C@]56C7=CC=C(OC)C=C7N(C)[C@H]5[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN4[C@@H]56)C[C@@H](C3)[C@H]1O2
InChI: InChI=1S/C46H56N4O9/c1-8-42-18-12-19-50-34(23-44(37(42)50)31-16-15-28(55-5)21-33(31)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)22-27-24-49(25-43(9-2)36(27)59-43)20-17-30-29-13-10-11-14-32(29)47-35(30)45/h10-16,18,21,27,34,36-39,47,54H,8-9,17,19-20,22-25H2,1-7H3/t27-,34?,36+,37-,38+,39+,42+,43-,44+,45-,46-/m0/s1
InChIKey: OHDAOWKAOQAEGR-CZUAIMPLSA-N
Source
Properties Information
Molecule Weight: 808.973
TPSA？: 146.4
MolLogP？: 4.027800000000004
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 10
Activities Information
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