Isobrucine
AlkaPlorer ID: AK318767
Synonym: None
IUPAC Name: (14Z,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
Structure
SMILES: COC1=CC2=C(C=C1OC)C13CCN4C/C(=C\CO)C(CC41)C1=CCC(=O)N2[C@@H]13
InChI: InChI=1S/C23H26N2O4/c1-28-18-10-16-17(11-19(18)29-2)25-21(27)4-3-14-15-9-20-23(16,22(14)25)6-7-24(20)12-13(15)5-8-26/h3,5,10-11,15,20,22,26H,4,6-9,12H2,1-2H3/b13-5+/t15?,20?,22-,23?/m0/s1
InChIKey: XTGYWZXUYFAABL-WKSBAVGDSA-N
Source
Properties Information
Molecule Weight: 394.4710000000001
TPSA？: 62.24000000000001
MolLogP？: 2.0134
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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