Antibiotic OA 6129D

AlkaPlorer ID: AK288574

Synonym: OA 6129D

IUPAC Name: 3-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethylsulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Structure

SMILES: CC(O)C1C(=O)N2C1CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)C2C(=O)O

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InChI: InChI=1S/C20H33N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-12,14-16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)

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InChIKey: IDHUQZYNJINFBS-UHFFFAOYSA-N

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Reference

PubChem CID: 13228416

CAS: 85414-25-1

COCONUT: CNP0305553.5

Source

Properties Information

Molecule Weight: 475.56400000000025

TPSA: 176.5

MolLogP: -1.8451999999999948

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information