Deacylcystodytin; 1'-(9-Octadecenoyloxy), N2'-(3-methyl-2-butenoyl)
AlkaPlorer ID: AK048402
Synonym: Cystodytin H
IUPAC Name: [2-(3-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: CCCCCCCCC=CCCCCCCCC(=O)OC(CNC(=O)C=C(C)C)C1=CC(=O)C2=C3C1=NC1=CC=CC=C1C3=CC=N2
InChI: InChI=1S/C40H51N3O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-37(46)47-35(28-42-36(45)26-29(2)3)32-27-34(44)40-38-31(24-25-41-40)30-21-19-20-22-33(30)43-39(32)38/h11-12,19-22,24-27,35H,4-10,13-18,23,28H2,1-3H3,(H,42,45)
InChIKey: VIBRCGDWEDQVOU-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 637.8650000000001
TPSA？: 98.25
MolLogP？: 9.3944
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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