Molecule

Sperabillin A

AlkaPlorer ID: AK023187

Synonym: None

IUPAC Name: (3R,5R)-3-amino-N-(3-amino-3-iminopropyl)-6-[[(2E,4Z)-hexa-2,4-dienoyl]amino]-5-hydroxyhexanamide

Structure

SMILES: C/C=C\C=C\C(O)=NC[C@H](O)C[C@@H](N)CC(O)=NCCC(=N)N

InChI: InChI=1S/C15H27N5O3/c1-2-3-4-5-14(22)20-10-12(21)8-11(16)9-15(23)19-7-6-13(17)18/h2-5,11-12,21H,6-10,16H2,1H3,(H3,17,18)(H,19,23)(H,20,22)/b3-2-,5-4+/t11-,12-/m1/s1

InChIKey: OAXPQNCOMDEHMJ-FHNIRRRCSA-N

Reference

Structures of New Pseudo-Peptide Antibiotics, Sperabillins

PubChem CID: 6441177

LOTUS: LTS0006815

SuperNatural Ⅲ: SN0260487-03

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NPAtlas: NPA016865

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudomonas fluorescens	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 325.4130000000001

TPSA？: 161.3

MolLogP？: 0.8261700000000016

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi