Tryptoquivaline S
AlkaPlorer ID: AK069116
Synonym: None
IUPAC Name: methyl 3-[(3aS,4S)-3,4-dihydroxy-2,2-dimethyl-1-oxo-3aH-imidazo[1,2-a]indol-4-yl]-2-[[2-[(2-hydroxy-3-methylbutanoyl)amino]benzoyl]amino]propanoate
Structure
SMILES: COC(=O)C(C[C@]1(O)C2=CC=CC=C2N2C(=O)C(C)(C)N(O)[C@H]21)N=C(O)C1=CC=CC=C1N=C(O)C(O)C(C)C
InChI: InChI=1S/C28H34N4O8/c1-15(2)21(33)23(35)29-18-12-8-6-10-16(18)22(34)30-19(24(36)40-5)14-28(38)17-11-7-9-13-20(17)31-25(28)32(39)27(3,4)26(31)37/h6-13,15,19,21,25,33,38-39H,14H2,1-5H3,(H,29,35)(H,30,34)/t19?,21?,25-,28-/m0/s1
InChIKey: NFPCYJLSKHGINB-RXJHGUIHSA-N
Reference
New alkaloids from a marine-derived fungus<i>Neosartorya</i>sp.HN-M-3
PubChem CID: 71770621
LOTUS: LTS0273995
{NPAtlas: NPA005512
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neosartorya sp. | Neosartorya | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 554.6000000000001
TPSA？: 175.71999999999997
MolLogP？: 2.5717
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|