Scleramide
AlkaPlorer ID: AK024254
Synonym: None
IUPAC Name: 3-[(2S,5S,11S,14S)-5,11,14-tribenzyl-4,13-dimethyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanamide
Structure
SMILES: CN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H]1CC1=CC=CC=C1
InChI: InChI=1S/C38H45N7O7/c1-44-30(21-26-14-8-4-9-15-26)35(49)41-24-34(48)43-29(20-25-12-6-3-7-13-25)38(52)45(2)31(22-27-16-10-5-11-17-27)36(50)40-23-33(47)42-28(37(44)51)18-19-32(39)46/h3-17,28-31H,18-24H2,1-2H3,(H2,39,46)(H,40,50)(H,41,49)(H,42,47)(H,43,48)/t28-,29-,30-,31-/m0/s1
InChIKey: UTVCBQCZOQNCAY-ORYMTKCHSA-N
Reference
PubChem CID: 10818573
LOTUS: LTS0101556
SuperNatural Ⅲ: SN0379968-01
NPASS: NPC111428
{NPAtlas: NPA019447
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sclerotiorum | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 711.8200000000002
TPSA？: 200.11
MolLogP？: -0.1503999999999878
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Spodoptera frugiperda | Spodoptera frugiperda | Activity | 27.0 | % | 10.1021/np000103v |