Deacylcystodytin; 1'-(9-Octadecenoyloxy), N2'-tigloyl
AlkaPlorer ID: AK048436
Synonym: Cystodytin I
IUPAC Name: [2-(2-methylbut-2-enoylamino)-1-(12-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl] octadec-9-enoate
Structure
SMILES: CC=C(C)C(=O)NCC(OC(=O)CCCCCCCC=CCCCCCCCC)C1=CC(=O)C2=NC=CC3=C4C=CC=CC4=NC1=C23
InChI: InChI=1S/C40H51N3O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-36(45)47-35(28-42-40(46)29(3)5-2)32-27-34(44)39-37-31(25-26-41-39)30-22-20-21-23-33(30)43-38(32)37/h5,12-13,20-23,25-27,35H,4,6-11,14-19,24,28H2,1-3H3,(H,42,46)
InChIKey: FHZKLFIPDDMQDJ-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 637.8650000000002
TPSA？: 98.25
MolLogP？: 9.3944
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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