Molecule

Aspergilumamide A

AlkaPlorer ID: AK068027

Synonym: None

IUPAC Name: methyl 2-[[(2S)-5-amino-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-5-oxopentanoyl]amino]benzoate

Structure

SMILES: COC(=O)C1=CC=CC=C1N=C(O)[C@H](CCC(=N)O)N=C(O)C1=CN=C2C(=N1)C(=O)N(C)C(=O)N2C

InChI: InChI=1S/C22H23N7O7/c1-28-17-16(20(33)29(2)22(28)35)25-14(10-24-17)19(32)27-13(8-9-15(23)30)18(31)26-12-7-5-4-6-11(12)21(34)36-3/h4-7,10,13H,8-9H2,1-3H3,(H2,23,30)(H,26,31)(H,27,32)/t13-/m0/s1

InChIKey: MEICOTRNKNPKQV-ZDUSSCGKSA-N

Reference

Structure and Absolute Configuration of Aspergilumamide A, a Novel Lumazine Peptide from the Mangrove‐Derived Fungus <i>Aspergillus</i> sp.

PubChem CID: 139584586

LOTUS: LTS0251126

{

NPAtlas: NPA005343

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus sp.	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 497.46800000000025

TPSA？: 205.34

MolLogP？: 1.09067

Number of H-Donors: 4

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi