Molecule

Penilumamide J

AlkaPlorer ID: AK323097

Synonym: None

IUPAC Name: 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulfinylbutanoyl]amino]benzoic acid

Structure

SMILES: CN1C(=O)C2=NC(C(=O)N[C@@H](CCS(C)=O)C(=O)NC3=CC=CC=C3C(=O)O)=CN=C2N(C)C1=O

InChI: InChI=1S/C21H22N6O7S/c1-26-16-15(19(30)27(2)21(26)33)23-14(10-22-16)18(29)25-13(8-9-35(3)34)17(28)24-12-7-5-4-6-11(12)20(31)32/h4-7,10,13H,8-9H2,1-3H3,(H,24,28)(H,25,29)(H,31,32)/t13-,35?/m0/s1

InChIKey: LGAQNSFMVZYPRH-VCHRQOTCSA-N

Reference

Antibacterial and NF-κB Inhibitory Lumazine Peptides, Aspochalasin, γ-Butyrolactone Derivatives, and Cyclic Peptides from a Hawaiian <i>Aspergillus flavipes</i>

PubChem CID: 156581105

NPASS: NPC480306

{

NPAtlas: NPA029794

Source

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

Properties Information

Molecule Weight: 502.5090000000002

TPSA？: 182.35

MolLogP？: -0.7688999999999968

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	Activity	None	None	10.1021/acs.jnatprod.0c00344