Molecule

Antibiotic WF 14861A

AlkaPlorer ID: AK288822

Synonym: WF 14861A

IUPAC Name: 3-[[1-[4-aminobutyl(3-aminopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Structure

SMILES: NCCCCN(CCCN)C(=O)C(CC1=CC=C(O)C=C1)N=C(O)C1OC1C(=O)O

InChI: InChI=1S/C20H30N4O6/c21-8-1-2-10-24(11-3-9-22)19(27)15(12-13-4-6-14(25)7-5-13)23-18(26)16-17(30-16)20(28)29/h4-7,15-17,25H,1-3,8-12,21-22H2,(H,23,26)(H,28,29)

InChIKey: GRBXFTOUISIXRP-UHFFFAOYSA-N

Reference

WF14861, a New Cathepsins B and L Inhibitor Produced by Colletotrichum sp. I. Taxonomy, Production, Purification and Structure lucidation.

PubChem CID: 9953995

CAS: 176777-37-0

LOTUS: LTS0164676

COCONUT: CNP0394573.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Colletotrichum sp.	Colletotrichum	Glomerellaceae	Glomerellales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 422.4820000000001

TPSA？: 174.99999999999997

MolLogP？: 0.0281000000000035

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi