(1R,4S,5S,11R,14S,15S)-2,12-dioxo-15-[(2-phenylacetyl)oxy]-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosa-6,8,16,18-tetraen-5-yl 2-phenylacetate
AlkaPlorer ID: AK028095
Synonym: None
IUPAC Name: [(1R,4S,5S,11R,14S,15S)-2,12-dioxo-15-(2-phenylacetyl)oxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,8,16,18-tetraen-5-yl] 2-phenylacetate
Structure
SMILES: O=C(CC1=CC=CC=C1)O[C@H]1C=CC=C2C[C@@]34SS[C@]5(CC6=CC=C[C@H](OC(=O)CC7=CC=CC=C7)[C@H]6N5C3=O)C(=O)N4[C@@H]21
InChI: InChI=1S/C34H28N2O6S2/c37-27(17-21-9-3-1-4-10-21)41-25-15-7-13-23-19-33-32(40)36-30-24(20-34(36,44-43-33)31(39)35(33)29(23)25)14-8-16-26(30)42-28(38)18-22-11-5-2-6-12-22/h1-16,25-26,29-30H,17-20H2/t25-,26-,29-,30-,33+,34+/m0/s1
InChIKey: QFNXGJMEFDFWRJ-GJQRYMIASA-N
Reference
Novel Epidithiodioxopiperazines, Emethallicins E and F, from Emericella heterothallica
PubChem CID: 14589903
LOTUS: LTS0225624
SuperNatural Ⅲ: SN0304037-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus nidulans | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 624.7400000000001
TPSA？: 93.21999999999998
MolLogP？: 4.290800000000004
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|