9-deoxy-seco-PF1233 B carboxylic acid
AlkaPlorer ID: AK012257
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-3-[(3S)-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-indol-3-yl]propanoic acid
Structure
SMILES: C=CC(C)(C)[C@]1(C[C@H](N=C(O)[C@@H](O)CC2=CC=CC=C2)C(=O)O)C(O)=NC2=CC=CC=C21
InChI: InChI=1S/C25H28N2O5/c1-4-24(2,3)25(17-12-8-9-13-18(17)27-23(25)32)15-19(22(30)31)26-21(29)20(28)14-16-10-6-5-7-11-16/h4-13,19-20,28H,1,14-15H2,2-3H3,(H,26,29)(H,27,32)(H,30,31)/t19-,20-,25-/m0/s1
InChIKey: QZMIWNADYPPZTF-RLSLOFABSA-N
Reference
Dioxomorpholines and Derivatives from a Marine-Facultative <i>Aspergillus</i> Species
PubChem CID: 139589766
LOTUS: LTS0233946
{NPAtlas: NPA022415
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. MEXU 27854 | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 436.50800000000015
TPSA？: 122.71000000000002
MolLogP？: 4.141600000000002
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|