(1S,4E,7R,9R)-7-methoxy-1-methyl-9-(2-methylbut-3-en-2-yl)-4-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
AlkaPlorer ID: AK092301
Synonym: None
IUPAC Name: (1S,4E,7R,9R)-7-methoxy-1-methyl-9-(2-methylbut-3-en-2-yl)-4-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: C=CC(C)(C)[C@@]12C[C@@]3(OC)C(=O)N/C(=C/C4=CN(C(C)(C)CC(C)=O)C=N4)C(=O)N3[C@]1(C)NC1=CC=CC=C12
InChI: InChI=1S/C30H37N5O4/c1-9-26(3,4)29-17-30(39-8)25(38)32-23(14-20-16-34(18-31-20)27(5,6)15-19(2)36)24(37)35(30)28(29,7)33-22-13-11-10-12-21(22)29/h9-14,16,18,33H,1,15,17H2,2-8H3,(H,32,38)/b23-14+/t28-,29-,30+/m0/s1
InChIKey: MYGQANMBBRSFGH-RINUWBIUSA-N
Reference
PubChem CID: 163149905
Source
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Properties Information
Molecule Weight: 531.6570000000003
TPSA？: 105.56
MolLogP？: 3.9349000000000016
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
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