Asperazine
AlkaPlorer ID: AK003057
Synonym: None
IUPAC Name: (1R,4R,7S,9R)-4-benzyl-9-[3-[[(2S,5R)-5-benzyl-3,6-dioxopiperazin-2-yl]methyl]-1H-indol-7-yl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Structure
SMILES: O=C1[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H]2C[C@]3(C4=CC=CC5=C4NC=C5C[C@@H]4N=C(O)[C@@H](CC5=CC=CC=C5)N=C4O)C4=CC=CC=C4N[C@@H]3N12
InChI: InChI=1S/C40H36N6O4/c47-35-30(18-23-10-3-1-4-11-23)42-36(48)31(43-35)20-25-22-41-34-26(25)14-9-16-28(34)40-21-33-37(49)44-32(19-24-12-5-2-6-13-24)38(50)46(33)39(40)45-29-17-8-7-15-27(29)40/h1-17,22,30-33,39,41,45H,18-21H2,(H,42,48)(H,43,47)(H,44,49)/t30-,31+,32-,33+,39-,40-/m1/s1
InChIKey: AWMBNXCUMNOLQI-JQLKQZRRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 664.7660000000001
TPSA？: 145.9
MolLogP？: 5.836900000000004
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|