Molecule

Oscillarin

AlkaPlorer ID: AK020743

Synonym: None

IUPAC Name: (2S)-N-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethyl]-6-hydroxy-1-[2-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Structure

SMILES: N=C(N)N1CC=C(CCN=C(O)[C@@H]2CC3CCC(O)CC3N2C(=O)C(CC2=CC=CC=C2)N=C(O)[C@H](O)CC2=CC=CC=C2)C1

InChI: InChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25?,26?,27?,28?,29-,30+/m0/s1

InChIKey: YNAKQOCSOOKXJP-IFNBDZAXSA-N

Reference

The<i>N</i>-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin

PubChem CID: 21777541

LOTUS: LTS0219292

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NPAtlas: NPA000686

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Planktothrix agardhii	Planktothrix	Microcoleaceae	Oscillatoriales	Cyanophyceae	Cyanobacteriota	None	Bacteria

Properties Information

Molecule Weight: 616.763

TPSA？: 179.06

MolLogP？: 2.770370000000004

Number of H-Donors: 6

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi