(15Z,26Z)-11-ethyl-30-hydroxy-31-{[3-(2-hydroxy-2-methoxyethyl)-1-[(methylamino)methyl]cyclopentyl]oxy}-18-[(4-hydroxy-3-methoxyphenyl)methyl]-7-(3-hydroxypropyl)-27-(methylamino)-26,28-diazahexacyclo[27.3.1.0²,?.0²,¹?.0?,¹³.0¹?,²²]tritriaconta-1(32),15,26,29(33),30-pentaen-24-yn-17-one
AlkaPlorer ID: AK085982
Synonym: None
IUPAC Name: (2R,6S,7R,8R,11S,13S,14R,15E,18R,22S)-11-ethyl-30-hydroxy-31-[(1S,3S)-3-[(2R)-2-hydroxy-2-methoxyethyl]-1-(methylaminomethyl)cyclopentyl]oxy-18-[(4-hydroxy-3-methoxyphenyl)methyl]-7-(3-hydroxypropyl)-27-methylimino-26,28-diazahexacyclo[27.3.1.02,6.02,14.08,13.018,22]tritriaconta-1(33),15,29,31-tetraen-24-yn-17-one
Structure
SMILES: CC[C@H]1CC[C@@H]2[C@@H](CCCO)[C@@H]3CCC[C@@]34C3=CC(O[C@@]5(CNC)CC[C@H](C[C@H](O)OC)C5)=C(O)C(=C3)NC(NC)=NC#CC[C@@H]3CCC[C@]3(CC3=CC=C(O)C(OC)=C3)C(=O)/C=C/[C@@H]4[C@H]2C1
InChI: InChI=1S/C55H78N4O8/c1-6-35-15-17-40-41(13-10-26-60)43-14-8-23-55(43)39-30-45(51(64)48(31-39)67-53(34-56-2)24-21-37(32-53)29-50(63)66-5)59-52(57-3)58-25-9-12-38-11-7-22-54(38,49(62)20-18-44(55)42(40)27-35)33-36-16-19-46(61)47(28-36)65-4/h16,18-20,28,30-31,35,37-38,40-44,50,56,60-61,63-64H,6-8,10-15,17,21-24,26-27,29,32-34H2,1-5H3,(H2,57,58,59)/b20-18+/t35-,37+,38-,40+,41+,42-,43-,44+,50+,53-,54+,55+/m0/s1
InChIKey: OXDJOLQORUFCSC-OJFWSHSASA-N
Source
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Properties Information
Molecule Weight: 923.2489999999996
TPSA？: 174.13
MolLogP？: 8.603700000000009
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 8
Activities Information
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