Asparenomycin C

AlkaPlorer ID: AK289396

Synonym: PA 39504X3, Antibiotic PA 39504X3 

IUPAC Name: 3-(2-acetamidoethenylsulfanyl)-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Structure

SMILES: CC(=O)NC=CSC1=C(C(=O)O)N2C(=O)C(=C(C)CO)C2C1

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InChI: InChI=1S/C14H16N2O5S/c1-7(6-17)11-9-5-10(22-4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h3-4,9,17H,5-6H2,1-2H3,(H,15,18)(H,20,21)

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InChIKey: OXRGPSLVPTUXTM-UHFFFAOYSA-N

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Reference

PubChem CID: 74083419

CAS: 81018-71-5

COCONUT: CNP0149204.4

Properties Information

Molecule Weight: 324.35800000000006

TPSA: 106.94

MolLogP: 0.5464

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information