(3S,9S,14aR)-9-benzyl-6,6-dimethyl-3-(6-oxooctyl)decahydro-pyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone
AlkaPlorer ID: AK048939
Synonym: None
IUPAC Name: (3S,9S,12R)-3-benzyl-6,6-dimethyl-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Structure
SMILES: CCC(=O)CCCCC[C@@H]1N=C(O)[C@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)C(C)(C)N=C1O
InChI: InChI=1S/C28H40N4O5/c1-4-20(33)14-9-6-10-15-21-24(34)31-28(2,3)27(37)30-22(18-19-12-7-5-8-13-19)26(36)32-17-11-16-23(32)25(35)29-21/h5,7-8,12-13,21-23H,4,6,9-11,14-18H2,1-3H3,(H,29,35)(H,30,37)(H,31,34)/t21-,22-,23+/m0/s1
InChIKey: HNGIDTWZBOOVGG-RJGXRXQPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peniophora sp. | Peniophora | Peniophoraceae | Russulales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 512.6510000000003
TPSA？: 135.15
MolLogP？: 4.548600000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|