(15Z,26Z)-11-ethyl-30-hydroxy-31-{[3-(2-hydroxy-2-methoxyethyl)-1-[(methylamino)methyl]cyclopentyl]oxy}-18-[(4-hydroxy-3-methoxyphenyl)methyl]-27-(methylamino)-26,28-diazahexacyclo[27.3.1.0²,?.0²,¹?.0?,¹³.0¹?,²²]tritriaconta-1(33),15,26,29,31-pentaen-24-yn-17-one
AlkaPlorer ID: AK069418
Synonym: None
IUPAC Name: (2S,6S,8R,11S,13R,14R,15E,18R,22R)-11-ethyl-30-hydroxy-31-[(1R,3R)-3-[(2R)-2-hydroxy-2-methoxyethyl]-1-(methylaminomethyl)cyclopentyl]oxy-18-[(4-hydroxy-3-methoxyphenyl)methyl]-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]2C[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/C52H72N4O7/c1-6-33-13-15-36-27-38-11-8-21-52(38)39-28-42(48(60)45(29-39)63-50(32-53-2)22-19-35(30-50)26-47(59)62-5)56-49(54-3)55-23-9-12-37-10-7-20-51(37,46(58)18-16-41(52)40(36)24-33)31-34-14-17-43(57)44(25-34)61-4/h14,16-18,25,28-29,33,35-38,40-41,47,53,57,59-60H,6-8,10-13,15,19-22,24,26-27,30-32H2,1-5H3,(H2,54,55,56)/b18-16+/t33-,35-,36+,37+,38-,40+,41+,47+,50+,51+,52+/m0/s1
InChIKey: VMISQCUWGLZYMS-LTYTULLISA-N
Source
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Properties Information
Molecule Weight: 865.1689999999996
TPSA？: 153.9
MolLogP？: 8.605100000000009
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 8
Activities Information
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