Verongidoic acid; (5S,10R)-form, [4-(Methoxycarbonylamino)-2-oxobutyl]amide
AlkaPlorer ID: AK317520
Synonym: None
IUPAC Name: methyl N-[4-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-3-oxobutyl]carbamate
Structure
SMILES: COC(O)=NCCC(=O)CNC(=O)C1=NOC2(C=C(Br)C(OC)=C(Br)C2O)C1
InChI: InChI=1S/C16H19Br2N3O7/c1-26-12-9(17)5-16(13(23)11(12)18)6-10(21-28-16)14(24)20-7-8(22)3-4-19-15(25)27-2/h5,13,23H,3-4,6-7H2,1-2H3,(H,19,25)(H,20,24)
InChIKey: WZOZWDIIJSJYPV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina cauliformis | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 525.1500000000001
TPSA？: 139.04000000000002
MolLogP？: 1.0435
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|