methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1?,?.1¹?,¹³.1¹?,¹?.0²,?]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaene-3-carboxylate
AlkaPlorer ID: AK010544
Synonym: None
IUPAC Name: methyl (3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
Structure
SMILES: C=CC1=C(C)C2=CC3=NC(=C4C5=NC(=CC6=C(CC)C(C)=C(C=C1N2)N6)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C
InChI: InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1
InChIKey: DQVGVYRSVYCJRR-AXRVZGOCSA-N
Reference
LOTUS: LTS0200273
Source
Properties Information
Molecule Weight: 871.2199999999993
TPSA？: 127.03000000000002
MolLogP？: 13.503139999999975
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
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