Molecule

Penilumamide I

AlkaPlorer ID: AK323096

Synonym: None

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

Structure

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

InChI: InChI=1S/C21H21N7O7/c1-27-16-15(19(32)28(2)21(27)35)24-13(9-23-16)18(31)26-12(7-8-14(22)29)17(30)25-11-6-4-3-5-10(11)20(33)34/h3-6,9,12H,7-8H2,1-2H3,(H2,22,29)(H,25,30)(H,26,31)(H,33,34)/t12-/m0/s1

InChIKey: HRKLNLPJFUJOCY-LBPRGKRZSA-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: 156581100

NPASS: NPC480305

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NPAtlas: NPA029789

Source

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

Properties Information

Molecule Weight: 483.44100000000014

TPSA？: 208.37

MolLogP？: -1.2719999999999985

Number of H-Donors: 4

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